SCHEMBL9754131

SCHEMBL9754131

Clc1ccc(Nc2ncccc2CSc2ccccc2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.42
DYRK1A Q13627 1/20 0.41
KMT2A Q03164 3/20 0.40
BRD4 O60885 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.38
THRB P10828 2/20 0.38
GRM4 Q14833 1/20 0.38
MAPK1 P28482 1/20 0.37
RET P07949 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 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
SCHEMBL9469355 0.84 KMT2A (0.51) DHODHKMT2ABRD4RAB9ASMN1; SMN2
SCHEMBL4690949 0.83 GRM4 (0.45) DHODHKMT2ABRD4CYP1A2CYP2C9
SCHEMBL9753940 0.80 BRD4 (0.48) DHODHKMT2ABRD4RAB9ASMN1; SMN2
SCHEMBL9363596 0.73 CYP1A2 (0.60) KMT2ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11598546 0.72 L3MBTL1 (0.42) KMT2ACYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL12478330 0.71 DHODH (0.71) DHODHKMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL18338084 0.68 KMT2A (0.58) KMT2ARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL12478383 0.65 SMN1; SMN2 (0.58) DHODHKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL9631014 0.65 ALDH1A1 (0.69) RAB9ANPC1ALDH1A1THRBMAPK1
SCHEMBL11091368 0.64 CYP1A2 (0.56) KMT2ACYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991018902-A1 SUBSTITUTED 1-H-PYRROLO[2,3-b]PYRIDINE-3-CARBOXAMIDES SCHERING CORPORATION (US) 1991-12-12 WO disclosed
US-5023265-A Antiinflammatory agent; inhibits both 5-lipoxygenase and cyclooxygenase; rheumatoid arthritis, bursitis, tendonitis, gout; side effect reduction SCHERING CORPORATION (US) 1991-06-11 US disclosed