SCHEMBL7694563

SCHEMBL7694563

COc1cc(OC)c(NC(=O)N(S)c2ccc(NC(=O)c3cccc(NS(C)(=O)=O)c3)cc2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 5/20 0.46
MEN1 O00255 5/20 0.46
RAB9A P51151 4/20 0.46
CDK9 P50750 1/20 0.44
HPGD P15428 1/20 0.44
F10 P00742 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
MAPK14 Q16539 1/20 0.42
CPT1A P50416 1/20 0.41
CPT1B Q92523 1/20 0.41

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
SCHEMBL6815712 0.88 MAPT (0.55) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6815333 0.88 KMT2A (0.49) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6816184 0.86 KMT2A (0.54) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6814060 0.86 MAPT (0.47) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6814379 0.86 MEN1 (0.55) MAPTALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL6815672 0.86 MAPT (0.47) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6815655 0.86 KDM4E (0.53) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6819656 0.85 MAPK14 (0.58) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6811028 0.85 SMN1; SMN2 (0.61) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6816349 0.84 MAPT (0.48) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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-6335350-B1 VARICELLA-ZOSTER, HUMAN CYTOMEGALO, EPSTEIN-BARR AND KAPOSI HERPESVIRUS TREATMENT AMERICAN HOME PRODUCTS CORPORATION 2002-01-01 US disclosed