SCHEMBL5482491

SCHEMBL5482491

Nc1ccc(C(=O)c2ccc(N)cc2)cc1.O=C(c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 2/20 0.61
▸ CES2 O00748 1/20 0.61
▸ CES1 P23141 1/20 0.61
▸ NR4A1 P22736 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ MAPK1 P28482 1/20 0.55
▸ PBRM1 Q86U86 1/20 0.55
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ ALOX15 P16050 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ NPC1 O15118 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ GABRA1 P14867 1/20 0.49
▸ GABRA5 P31644 1/20 0.49
▸ PTGS2 P35354 2/20 0.49
▸ HPGD P15428 1/20 0.48
▸ ATM Q13315 1/20 0.48

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
SCHEMBL4747566 0.92 SRD5A2 (0.64) SRD5A2CES2CES1NR4A1ALDH1A1
SCHEMBL50462 0.89 SRD5A2 (0.74) SRD5A2CES2CES1NR4A1ALDH1A1
SCHEMBL49952 0.89 ALDH1A1 (0.70) SRD5A2CES2CES1ALDH1A1PBRM1
SCHEMBL9442387 0.89 SRD5A2 (0.74) SRD5A2CES2CES1NR4A1ALDH1A1
Hydrochloric Acid SCHEMBL4594201 0.87 SRD5A2 (0.71) SRD5A2CES2CES1NR4A1ALDH1A1
Ammonia Solution, Strong SCHEMBL28612928 0.87 ALDH1A1 (0.67) SRD5A2CES2CES1ALDH1A1PBRM1
Bicarbonate SCHEMBL9817101 0.87 SRD5A2 (0.71) SRD5A2CES2CES1NR4A1ALDH1A1
Hydrochloric Acid SCHEMBL4594202 0.87 SRD5A2 (0.71) SRD5A2CES2CES1NR4A1ALDH1A1
Hydrochloric Acid SCHEMBL8746067 0.87 ALDH1A1 (0.67) SRD5A2CES2CES1ALDH1A1PBRM1
Bicarbonate SCHEMBL27627699 0.87 ALDH1A1 (0.67) SRD5A2CES2CES1ALDH1A1PBRM1

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-20070043138-A1 Resin composition for photofabrication of three dimensional objects YAMAMURA TETSUYA 2007-02-22 — — US disclosed
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