SCHEMBL5257296

SCHEMBL5257296

NC(=O)C1=CN(Nc2cccc(Cl)c2)CC=C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
MAPT P10636 6/20 0.42
ALDH1A1 P00352 5/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
HTR3E A5X5Y0 2/20 0.42
HTR3B O95264 2/20 0.42
HTR3A P46098 2/20 0.42
HTR3D Q70Z44 2/20 0.42
HTR3C Q8WXA8 2/20 0.42
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PARP1 P09874 1/20 0.40
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL9494592 0.88 NPC1 (0.43) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL9499235 0.86 MEN1 (0.39) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL9494442 0.84 NPC1 (0.40) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL9496926 0.84 POLB (0.43) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL5248995 0.83 KMT2A (0.41) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL9498426 0.77
SCHEMBL9494540 0.74 KDM4E (0.31) MEN1KMT2AKDM4E
SCHEMBL9495346 0.73 TDP1 (0.35) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL9498592 0.72 NPC1 (0.41) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL9495360 0.71 HTT (0.44) MEN1KMT2AMAPTALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1770093-A1 Pyrido¬2,3-d|pyrimidine derivatives as phosphodiesterase inhibitors Roche Palo Alto LLC (US) 2007-04-04 EP disclosed
US-5264437-A Antiinflammatory agents, immunosuppressants or antiallergens SYNTEX (U.S.A.) INC. (US) 1993-11-23 US disclosed