SCHEMBL7872744

SCHEMBL7872744

COc1cc(-n2nc(N)cc2-c2ccc(SC)cc2)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 2/20 0.43
DYRK1A Q13627 1/20 0.42
RPA1 P27694 4/20 0.42
PTGS2 P35354 9/20 0.41
PTGS1 P23219 6/20 0.41
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
TUBB1 Q9H4B7 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
SCHEMBL7867813 0.91 PTGS2 (0.44) RPA1PTGS2PTGS1TUBB4ATUBB
SCHEMBL7878950 0.84 PTGS2 (0.43) RPA1PTGS2PTGS1GABRPGABRD
SCHEMBL1015933 0.84 DYRK1A (0.48) RIPK2DYRK1ARPA1PTGS2PTGS1
SCHEMBL8199732 0.82 RPA1 (0.65) RPA1
SCHEMBL7876568 0.82 POLB (0.46) RPA1PTGS2PTGS1GABRPGABRD
SCHEMBL7465856 0.82 PTGS2 (0.54) RPA1PTGS2PTGS1CYP1A2CYP3A4
SCHEMBL8645116 0.81 MALT1 (0.50) RPA1PTGS2PTGS1CYP1A2CYP3A4
SCHEMBL7878991 0.81 KDM4E (0.42) PTGS2PTGS1
SCHEMBL7867770 0.80 MAPT (0.45) RIPK2RPA1PTGS2PTGS1CYP1A2
SCHEMBL7874517 0.79 RPA1 (0.43) RPA1PTGS2PTGS1TUBB4ATUBB

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
US-6316485-B1 INHIBITS ACTIVITY OF CYCLOOXYGENASE-2; FOR THERAPY AND PROPHYLAXIS OF INFLAMMATION, THROMBOSIS, RHEUMATOID ARTHRITIS, ALZHEIMER'S DISEASE; AS ANALGESIC FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed