SCHEMBL28578450

SCHEMBL28578450

CC(=O)Nc1ccc(C2CCC2c2ccc(Cl)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.60
▸ NAMPT P43490 1/20 0.53
▸ MEN1 O00255 6/20 0.52
▸ KMT2A Q03164 6/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ LMNA P02545 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ EPHX1 P07099 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ SLC6A2 P23975 1/20 0.50
▸ SLC6A4 P31645 1/20 0.50
▸ SLC6A3 Q01959 1/20 0.50
▸ IDO1 P14902 1/20 0.50
▸ ATM Q13315 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
SCHEMBL28584612 0.91 NAMPT (0.61) ALDH1A1NAMPTMEN1KMT2ANPC1
SCHEMBL28584635 0.85 TDP1 (0.69) ALDH1A1NAMPTMEN1KMT2ANPC1
SCHEMBL28593005 0.85 HSD17B10 (0.60) ALDH1A1NAMPTMEN1KMT2ANPC1
SCHEMBL197282 0.84 SMN1; SMN2 (0.67) ALDH1A1MEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL9486219 0.82 SMN1; SMN2 (0.64) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL28578005 0.81 NPC1 (0.54) ALDH1A1NAMPTMEN1KMT2ANPC1
SCHEMBL28593819 0.81 EPHX1 (0.51) ALDH1A1NAMPTMEN1KMT2ANPC1
SCHEMBL28588079 0.80 KDM1A (0.56) ALDH1A1NAMPTMEN1KMT2ARAB9A
SCHEMBL14384589 0.78 SMN1; SMN2 (0.79) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL28581773 0.78 LMNA (0.48) ALDH1A1NAMPTMEN1KMT2ANPC1

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
CN-108623425-B Method for constructing four-membered ring by visible light catalysis [2+2] reaction 中国科学院理化技术研究所 2021-05-14 — — CN disclosed
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