SCHEMBL5790256

SCHEMBL5790256

CC(C)CN1CCC(N(CCc2ccccn2)Cc2cccc(CNCc3ccccn3)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CYP2C19 P33261 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CCR3 P51677 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ SMARCA2 P51531 1/20 0.35
▸ CXCR4 P61073 4/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 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
SCHEMBL1873995 0.87 KMT2A (0.50) KMT2AMEN1RAB9ACYP2C19CYP2D6
SCHEMBL29823211 0.87 KMT2A (0.50) KMT2AMEN1RAB9ACYP2C19CYP2D6
SCHEMBL1872883 0.85 MEN1 (0.41) KMT2AMEN1RAB9ACYP2C19CYP2D6
SCHEMBL29823986 0.85 MEN1 (0.41) KMT2AMEN1RAB9ACYP2C19CYP2D6
SCHEMBL29823495 0.81 CCR3 (0.45) KMT2AMEN1ALDH1A1CCR3KDM4E
SCHEMBL1870607 0.81 CCR3 (0.45) KMT2AMEN1ALDH1A1CCR3KDM4E
SCHEMBL29823344 0.81 CXCR4 (0.51) KMT2AMEN1RAB9AALDH1A1KDM4E
SCHEMBL1879660 0.81 CXCR4 (0.51) KMT2AMEN1RAB9AALDH1A1KDM4E
SCHEMBL29823437 0.80 CCR1 (0.42) KMT2AMEN1ALDH1A1CCR3LMNA
SCHEMBL1879075 0.80 CCR1 (0.42) KMT2AMEN1ALDH1A1CCR3LMNA

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-1163238-B1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2006-05-31 — — EP disclosed
Send feedback