SCHEMBL8321111

SCHEMBL8321111

COc1cccc(-n2c(=O)[nH]c(=O)[nH]c2=O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.65
NTRK1 P04629 2/20 0.61
IGF1R P08069 2/20 0.61
FGFR1 P11362 2/20 0.61
NTRK2 Q16620 2/20 0.61
MGLL Q99685 1/20 0.53
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
NOTUM Q6P988 2/20 0.47
ALOX5 P09917 1/20 0.47
ATM Q13315 1/20 0.46
ADRB1 P08588 1/20 0.46
KDM4E B2RXH2 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL3030044 0.86 CYP1A2 (0.64) CYP1A2NTRK1IGF1RFGFR1NTRK2
SCHEMBL14123260 0.80 ATM (0.63) NTRK1IGF1RFGFR1NTRK2MGLL
SCHEMBL29625915 0.79 LMNA (0.50) MGLLMAPTMEN1ALDH1A1GAA
SCHEMBL6979777 0.77 KDM4E (0.68) CYP1A2NTRK1IGF1RFGFR1NTRK2
SCHEMBL9799805 0.77 KDM4E (0.59) CYP1A2MGLLMAPTMEN1ALDH1A1
SCHEMBL8177459 0.76 CYP1A2 (0.74) CYP1A2NTRK1IGF1RFGFR1NTRK2
SCHEMBL21295403 0.76 NTRK1 (1.00) CYP1A2NTRK1IGF1RFGFR1NTRK2
SCHEMBL8319159 0.75 GAA (0.46) MEN1ALDH1A1GAAKMT2AKDM4E
SCHEMBL12639228 0.75 SMN1; SMN2 (0.60) CYP1A2NTRK1IGF1RFGFR1NTRK2
SCHEMBL5755656 0.74 NTRK1 (0.58) CYP1A2NTRK1IGF1RFGFR1NTRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5519133-A CYCLIZATION, ALKYLATION AMERICAN CYANAMID CO. (US) 1996-05-21 US claimed
US-5883282-A UREA CHEMICAL INTERMEDIATES; RICE AMERICAN CYANAMID COMPANY (US) 1999-03-16 US disclosed
US-5763605-A 3-(3-aryloxyphenyl)-1-(substituted methyl)-S-triazine-2,4,6-oxo or thiotrione herbicidal agents AMERICAN CYANAMID COMPANY (US) 1998-06-09 US disclosed
US-5670641-A 3-(3-aryloxyphenyl)-1-(substituted methyl)-S-triazine-2,4,6-oxo or thiotrione herbicidal agents AMERICAN CYANAMID COMPANY (US) 1997-09-23 US disclosed
US-5654256-A PREEMERGENCE, POSTEMERGENCE HERBICIDES AMERICAN CYANAMID COMPANY (US) 1997-08-05 US disclosed
US-5604180-A RICE CROPS AMERICAN CYANAMID COMPANY 1997-02-18 US disclosed
US-5519133-A CYCLIZATION, ALKYLATION AMERICAN CYANAMID CO. (US) 1996-05-21 US disclosed