SCHEMBL7872838

SCHEMBL7872838

CSc1ccc(-c2cc(N)nn2-c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.47
PTGS1 P23219 5/20 0.47
BCL2 P10415 2/20 0.47
MDM2 Q00987 2/20 0.47
MCL1 Q07820 2/20 0.47
KCNH2 Q12809 3/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MALT1 Q9UDY8 2/20 0.37
ALOX5 P09917 1/20 0.37
FABP3 P05413 1/20 0.37

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
SCHEMBL8645116 0.86 MALT1 (0.50) PTGS2PTGS1ALDH1A1SMN1; SMN2MEN1
SCHEMBL9202494 0.84 PTGS2 (0.52) PTGS2PTGS1LMNASMN1; SMN2MEN1
SCHEMBL7867785 0.82 PTGS2 (0.47) PTGS2PTGS1LMNASMN1; SMN2MEN1
SCHEMBL7465856 0.82 PTGS2 (0.54) PTGS2PTGS1LMNAMALT1ALOX5
SCHEMBL7874456 0.80 PTGS2 (0.46) PTGS2PTGS1ALDH1A1LMNASMN1; SMN2
SCHEMBL7878950 0.80 PTGS2 (0.43) PTGS2PTGS1SMN1; SMN2POLBMALT1
SCHEMBL7876568 0.80 POLB (0.46) PTGS2PTGS1LMNASMN1; SMN2MEN1
SCHEMBL8640795 0.80 KDM4C (0.50) PTGS2PTGS1ALDH1A1SMN1; SMN2NPC1
SCHEMBL8639378 0.79 PTGS2 (0.53) PTGS2PTGS1ALDH1A1LMNASMN1; SMN2
SCHEMBL7872834 0.77 PTGS2 (0.46) PTGS2PTGS1KCNH2ALDH1A1LMNA

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