SCHEMBL11741256

SCHEMBL11741256

CC1(C)OCCc2nc(-c3ccc(Cl)cc3)sc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ KDM4E B2RXH2 8/20 0.42
▸ ATM Q13315 1/20 0.42
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ALOX5 P09917 1/20 0.35
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL11741172 0.87 NPC1 (0.41) KDM4ERAB9ANPC1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL11745607 0.84 PKM (0.39) CASP3SENP8SENP7SENP6PKM
SCHEMBL11741941 0.81 KDM4E (0.41) CASP3SENP8SENP7SENP6PKM
SCHEMBL11742742 0.76 KDM4E (0.39) CASP3SENP8SENP7SENP6KDM4E
Hydrochloric Acid SCHEMBL11741645 0.70 NPC1 (0.42) KDM4ERAB9ANPC1MAPTKMT2A
SCHEMBL943870 0.70 ALDH1A1 (0.38) ALDH1A1
SCHEMBL11738748 0.69 NPC1 (0.38) KDM4ERAB9ANPC1MAPTSMN1; SMN2
SCHEMBL11743857 0.69 NPC1 (0.38) KDM4ERAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2074075 0.69 ALDH1A1 (0.42) CASP3SENP8SENP7SENP6KDM4E
SCHEMBL11736431 0.67 NPC1 (0.37) KDM4ERAB9ANPC1MAPTSMN1; SMN2

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-4033977-A ANTIINFLAMMATORY, ANTIDEPRESSANT AMERICAN HOME PRODUCTS CORPORATION (US) 1977-07-05 — — US disclosed
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