SCHEMBL7796320

SCHEMBL7796320

C/C=C1/CN(C(=O)Nc2ccc3c(c2)CCO3)Cc2cc(C(=O)NO)sc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
FAAH O00519 1/20 0.38
MAPK14 Q16539 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
GPR142 Q7Z601 3/20 0.36
CYP2D6 P10635 1/20 0.36
PTGER3 P43115 1/20 0.35
HDAC6 Q9UBN7 2/20 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
SCHEMBL7795271 0.83 NPC1 (0.47) NAMPTSMN1; SMN2LMNAHDAC6HDAC3
SCHEMBL7790575 0.80 ALDH1A1 (0.43) NAMPTSMN1; SMN2ALDH1A1FAAHMAPK14
SCHEMBL7794883 0.79 NAMPT (0.53) NAMPT
SCHEMBL7795270 0.76 HPGD (0.43) SMN1; SMN2ALDH1A1KMT2APTGER3NPC1
SCHEMBL7789524 0.75 TAS1R3 (0.38) NAMPTALDH1A1HDAC6HDAC3HDAC1
SCHEMBL7870443 0.72 HDAC6 (0.52) NAMPTSMN1; SMN2MAPK14HDAC6HDAC3
SCHEMBL7797525 0.70 NAMPT (0.50) NAMPTHDAC6HDAC3HDAC4HDAC1
SCHEMBL7795811 0.70 POLB (0.40) ALDH1A1MEN1KMT2ALMNAHDAC6
SCHEMBL7796483 0.70 HDAC6 (0.47) SMN1; SMN2LMNAHDAC6HDAC1
SCHEMBL7787409 0.68 HDAC6 (0.47) ALDH1A1CA1CA2HDAC6HDAC3

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-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 WO disclosed