SCHEMBL6681735

SCHEMBL6681735

Cc1nn(-c2ccccc2)c(Cl)c1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.69
CYP1A2 P05177 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
MAPT P10636 3/20 0.64
ALDH1A1 P00352 2/20 0.64
LMNA P02545 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
POLB P06746 5/20 0.60
KMT2A Q03164 5/20 0.60
TDP1 Q9NUW8 4/20 0.60
MEN1 O00255 3/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
GAA P10253 2/20 0.59
ATM Q13315 1/20 0.59
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5643538 0.87 HPGD (0.66) HPGDMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL28279092 0.87 HPGD (0.66) HPGDCYP1A2CYP2C9CYP2C19MAPT
SCHEMBL27939024 0.84 HPGD (0.70) HPGDMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL28040013 0.83 HPGD (0.73) HPGDCYP1A2CYP2C9CYP2C19MAPT
SCHEMBL29408182 0.83 KMT2A (0.63) HPGDMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL2938583 0.83 MEN1 (0.69) HPGDCYP1A2CYP2C9CYP2C19MAPT
SCHEMBL8090996 0.81 CYP1A2 (0.67) HPGDCYP1A2CYP2C9CYP2C19MAPT
SCHEMBL5067031 0.80 HPGD (0.73) HPGDCYP1A2CYP2C9CYP2C19MAPT
SCHEMBL8084827 0.80 CYP1A2 (0.65) HPGDCYP1A2CYP2C9CYP2C19MAPT
SCHEMBL14133157 0.79 POLB (0.73) HPGDMAPTALDH1A1LMNASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116969930-A Thiazole ring-containing pyrazole carboxamide derivative and preparation method and application thereof 安徽农业大学 2023-10-31 CN claimed
CN-116969930-A Thiazole ring-containing pyrazole carboxamide derivative and preparation method and application thereof 安徽农业大学 2023-10-31 CN disclosed
CN-110698462-A 1,3, 5-substituent-4-pyrazole amide derivative and preparation method thereof 凯里学院 2020-01-17 CN disclosed
CN-105541828-B Amide imidazole derivative and application thereof 沈阳药科大学 2019-04-02 CN disclosed
CN-103421026-A Synthetic method for pyrazolyl-containing imidazo [2,1-b]-1,3,4 thiadiazole derivatives UNIV XINJIANG 2013-12-04 CN disclosed
WO-2004043951-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS CAREX S.A. (FR) 2004-05-27 WO disclosed
US-6133270-A Isothiazolones and pharmaceutical formulations WARNER-LAMBERT COMPANY (US) 2000-10-17 US disclosed
US-6001863-A USEFUL AS ANTIVIRAL, ANTIINFLAMMATORY AND ANTIATHEROSCLEROSIS AGENT; ADMINISTERING TO THE PATIENT IN NEED OF ZINC EJECTION FROM NUCLEOCAPSID PROTEIN WARNER-LAMBERT COMPANY (US) 1999-12-14 US disclosed
US-5889034-A ANTIINFLAMMATORY AGENT; ANTIATHEROSCLEROSIS AGENT; VIRICIDES WARNER-LAMBERT COMPANY (US) 1999-03-30 US disclosed
US-5733921-A ANTIRETROVIRAL AGENTS; ANTIINFLAMMATORY AGENTS; ANTIATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1998-03-31 US disclosed
EP-0828488-A1 ISOTHIAZOLONES WARNER-LAMBERT COMPANY (US) 1998-03-18 EP disclosed
US-5668162-A Isothiazolones lower plasma levels of lipoprotein(a) WARNER-LAMBERT COMPANY 1997-09-16 US disclosed
US-5620997-A VIRICIDES, ANTIINFLAMMATORY AGENTS, ANTIATHEROSCLEROTIC AGENT WARNER-LAMBERT COMPANY (US) 1997-04-15 US disclosed
WO-1996038144-A1 ISOTHIAZOLONES WARNER-LAMBERT COMPANY (US) 1996-12-05 WO disclosed