SCHEMBL17004161

SCHEMBL17004161

Cc1c(-c2ccncc2)c2ccccn2c1C(=O)c1ccc2[nH]cc(C(=O)N(C)C)c(=O)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPT P10636 8/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ CDK4 P11802 1/20 0.36
▸ CCND1 P24385 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ TP53 P04637 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL14916922 0.75 S1PR1 (0.42) ALDH1A1KMT2AMEN1HTTGAA
Hydrochloric Acid SCHEMBL14916431 0.74 S1PR1 (0.42) ALDH1A1KMT2AMEN1HTTGAA
SCHEMBL321038 0.74 KDM4E (0.42) ALDH1A1KMT2AMEN1HTTGAA
SCHEMBL12505747 0.72 POLB (0.42) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL321292 0.71 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1GAAKDM4E
SCHEMBL321434 0.65 L3MBTL1 (0.55) ALDH1A1KMT2AMEN1HTTGAA
SCHEMBL320647 0.65 ALDH1A1 (0.41) ALDH1A1KMT2AHTTGAAMAPT
SCHEMBL320396 0.63 ALDH1A1 (0.43) ALDH1A1HTTGAAMAPTKDM4E
SCHEMBL28811758 0.63 MAPT (0.39) ALDH1A1KMT2AMEN1HTTGAA
SCHEMBL320837 0.63 MAPT (0.41) ALDH1A1KMT2AMEN1HTTMAPT

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
EP-2590975-B1 INDOLIZINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2015-08-19 — — EP claimed
Send feedback