SCHEMBL8520681

SCHEMBL8520681

CCc1ccc(C(=O)N(N)C(C)(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
HPGD P15428 1/20 0.58
ALDH1A1 P00352 4/20 0.50
ABCB1 P08183 1/20 0.47
CYP3A4 P08684 1/20 0.47
PLK1 P53350 1/20 0.46
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
AGTR1 P30556 1/20 0.40

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
Toluene SCHEMBL8173379 0.86 HPGD (0.46) SMN1; SMN2HPGDALDH1A1ABCB1CYP3A4
Benzoyl Chloride SCHEMBL8173467 0.86 HPGD (0.46) SMN1; SMN2HPGDALDH1A1ABCB1CYP3A4
Hydrochloric Acid SCHEMBL8166435 0.86 HPGD (0.46) SMN1; SMN2HPGDALDH1A1ABCB1CYP3A4
SCHEMBL7478788 0.86 LOXL2 (0.49) SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL8006902 0.84 LOXL2 (0.47) SMN1; SMN2HPGDMAPT
SCHEMBL9247156 0.79 SRD5A2 (0.50) SMN1; SMN2HPGDALDH1A1MAPTTDP1
SCHEMBL9507319 0.79 ALDH1A1 (0.52) SMN1; SMN2HPGDALDH1A1MAPTHTT
SCHEMBL9203545 0.79 ESR1 (0.48) SMN1; SMN2HPGDCYP3A4MAPTHTT
SCHEMBL8167107 0.78 CES2 (0.45) SMN1; SMN2HPGDALDH1A1MAPTHTT
SCHEMBL9498504 0.78 CES2 (0.45) SMN1; SMN2HPGDALDH1A1MAPTLMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108947866-A N-(2- methyl -3- Phenylbenzoyl)-N '-tertiary butyl hydrazine and its synthetic method 安康学院 2018-12-07 CN disclosed
EP-0638545-B1 Process for preparing 1,2-diacyl-2-t-alkylhydrazides ROHM & HAAS (US) 1999-10-13 EP disclosed
US-5767314-A Selective acylation of monoalkylhydrazines ROHM AND HAAS COMPANY (US) 1998-06-16 US disclosed
US-5675037-A REACTING UNSUBSTITUTED OR MONOALKYL-HYDRAZINES WITH TRICHLOROMETHYL ARYL KETONES ROHM AND HAAS COMPANY (US) 1997-10-07 US disclosed
US-5672723-A SELECTIVE HYDROLYSIS OR ALCOHOLYSIS OF A MIXTURE OF 1-ACYL-1-ALKYLHYDRAZINE AND 1-ACYL-2-ALKYLHYDRAZINE USING AN ACID CATALYST TO OBTAIN AN ACID OR ESTER AND THE STABLE 1-ACYL-2-ALKYLHYRAZINE NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1997-09-30 US disclosed
EP-0639558-B1 Process for preparation of 1-acyl-2-substituted-hydrazines NIPPON KAYAKU KK (JP) 1996-10-23 EP disclosed
EP-0492839-B1 Selective acylation of hydrazines ROHM & HAAS (US) 1995-04-12 EP disclosed
EP-0639558-A1 Process for preparation of 1-acyl-2-substituted-hydrazines Nippon Kayaku Kabushiki Kaisha (JP) 1995-02-22 EP disclosed
EP-0638545-A1 Process for preparing 1,2-diacyl-2-t-alkylhydrazides ROHM AND HAAS COMPANY (US) 1995-02-15 EP disclosed
EP-0492839-A1 Selective acylation of hydrazines ROHM AND HAAS COMPANY (US) 1992-07-01 EP disclosed