SCHEMBL31517697

SCHEMBL31517697

Clc1ccc(-c2c[nH]c3ccccc23)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.71
▸ NR4A2 P43354 1/20 0.68
▸ IMPDH2 P12268 2/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ ELANE P08246 1/20 0.56
▸ TDO2 P48775 6/20 0.53
▸ HTT P42858 1/20 0.51
▸ SIRT2 Q8IXJ6 2/20 0.49
▸ SIRT1 Q96EB6 1/20 0.49
▸ PRKD3 O94806 1/20 0.49
▸ CCNB2 O95067 1/20 0.49
▸ CCNE2 O96020 1/20 0.49
▸ ABL1 P00519 1/20 0.49
▸ PRKCG P05129 1/20 0.49
▸ PRKCB P05771 1/20 0.49
▸ CDK1 P06493 1/20 0.49

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
SCHEMBL11515884 1.00 ALOX5 (0.71) ALOX5NR4A2IMPDH2MAPK1HSD17B10
SCHEMBL28377762 0.90 NR4A2 (0.81) ALOX5NR4A2IMPDH2MAPK1HSD17B10
SCHEMBL28416622 0.88 NR4A2 (0.78) ALOX5NR4A2IMPDH2MAPK1HSD17B10
3-Phenylindole SCHEMBL84056 0.84 IMPDH2 (0.71) NR4A2IMPDH2MAPK1HSD17B10MEN1
3-Phenylindole SCHEMBL29609072 0.84 IMPDH2 (0.71) NR4A2IMPDH2MAPK1HSD17B10MEN1
SCHEMBL7507592 0.83 ALOX5 (0.64) ALOX5NR4A2IMPDH2MAPK1HSD17B10
SCHEMBL31517691 0.81 NR4A2 (0.68) ALOX5NR4A2IMPDH2MAPK1HSD17B10
SCHEMBL1879218 0.81 NR4A2 (1.00) ALOX5NR4A2IMPDH2MAPK1HSD17B10
SCHEMBL1071072 0.81 NR4A2 (0.68) ALOX5NR4A2IMPDH2MAPK1HSD17B10
SCHEMBL31517811 0.81 NR4A2 (0.68) ALOX5NR4A2IMPDH2MAPK1HSD17B10

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
WO-2025090648-A1 METHODS AND COMPOSITIONS FOR INHIBITING METASTASIS OF SOLID TUMORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-05-01 — — WO disclosed
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