SCHEMBL13907801

SCHEMBL13907801

Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1-c1ccc(C(=O)Nc2ccc(CN3CCS(=O)(=O)CC3)cc2)o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.62
▸ RAB9A P51151 4/20 0.62
▸ NPC1 O15118 2/20 0.62
▸ SMN1; SMN2 Q16637 7/20 0.54
▸ MAPT P10636 7/20 0.54
▸ KMT2A Q03164 6/20 0.54
▸ LMNA P02545 4/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ HTT P42858 2/20 0.54
▸ HPGD P15428 2/20 0.54
▸ POLB P06746 2/20 0.54
▸ MAPK1 P28482 5/20 0.54
▸ PKM P14618 2/20 0.53
▸ MEN1 O00255 3/20 0.49
▸ TSHR P16473 2/20 0.49
▸ MAPKAPK2 P49137 1/20 0.49
▸ TNIK Q9UKE5 1/20 0.49
▸ PRKD3 O94806 1/20 0.49
▸ PRKD1 Q15139 1/20 0.49
▸ PRKD2 Q9BZL6 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
SCHEMBL12394218 0.86 RAB9A (0.63) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL3956042 0.83 RAB9A (0.57) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2354124 0.82 RAB9A (0.61) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2346273 0.82 RAB9A (0.61) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4240335 0.81 MAPT (0.55) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2348925 0.80 RAB9A (0.56) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2347557 0.79 MAPK1 (0.55) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2350379 0.78 RAB9A (0.53) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL12394235 0.77 RAB9A (0.62) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL12394223 0.76 RAB9A (0.70) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT

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-2009034390-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2009-03-19 — — WO disclosed
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