SCHEMBL9826288

SCHEMBL9826288

Cc1ccc(Oc2ccsc2C(N)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
ICAM1 P05362 1/20 0.45
SELE P16581 1/20 0.45
VCAM1 P19320 1/20 0.45
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
PARP10 Q53GL7 3/20 0.41
PKM P14618 2/20 0.40
ATM Q13315 1/20 0.40
MAPK1 P28482 1/20 0.40
MMP13 P45452 1/20 0.39
BCAT2 O15382 1/20 0.39
KMT2A Q03164 2/20 0.39
PARP15 Q460N3 1/20 0.39
PARP14 Q460N5 1/20 0.39
PARP16 Q8N5Y8 1/20 0.39
PARP11 Q9NR21 1/20 0.39
PARP4 Q9UKK3 1/20 0.39
TEAD4 Q15561 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL9826065 0.85 ATM (0.48) ALDH1A1ATMMAPK1MMP13KMT2A
SCHEMBL4698700 0.75 IKBKB (0.46) ALDH1A1PARP10PKMBCAT2KMT2A
SCHEMBL7062703 0.74 MEN1 (0.49) ALDH1A1PARP10PKMMAPK1KMT2A
SCHEMBL14342685 0.73 BCAT2 (0.47) ALDH1A1PARP10PKMMAPK1BCAT2
SCHEMBL1379773 0.71 KMT2A (0.68) ALDH1A1PARP10PKMMAPK1BCAT2
SCHEMBL2231308 0.71 BCAT2 (0.69) ALDH1A1PKMATMMAPK1BCAT2
SCHEMBL25142213 0.70 PARP10 (0.66) ALDH1A1PARP10MAPK1MMP13KMT2A
SCHEMBL6368241 0.70 CTNNB1 (0.74) ALDH1A1PARP10MAPK1KMT2AMAPT
SCHEMBL3013339 0.70 PARP10 (0.79) ALDH1A1PARP10MMP13KMT2APARP15
SCHEMBL24592196 0.70 PARP10 (0.79) ALDH1A1PARP10MMP13KMT2APARP15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0249236-B1 N-1H-TETRAZOL-5-YL-(5-RING)-CARBOXAMIDE-DERIVATIVES, A PROCESS FOR THEIR MANUFACTURE, AND THE USE THEREOF WARNER-LAMBERT COMPANY (US) 1991-04-24 EP disclosed