SCHEMBL4255052

SCHEMBL4255052

CN(C)C(=Cc1ccccc1)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.53
RAB9A P51151 10/20 0.53
PKM P14618 4/20 0.53
POLB P06746 3/20 0.53
ALDH1A1 P00352 7/20 0.48
KMT2A Q03164 6/20 0.48
L3MBTL1 Q9Y468 5/20 0.48
LMNA P02545 4/20 0.48
MEN1 O00255 4/20 0.48
MITF O75030 1/20 0.48
MAPT P10636 7/20 0.46
KDM4E B2RXH2 4/20 0.46
GAA P10253 3/20 0.46
SMN1; SMN2 Q16637 5/20 0.44
NAPRT Q6XQN6 1/20 0.44
P4HTM Q9NXG6 1/20 0.44
EGFR P00533 1/20 0.42
IGF1R P08069 1/20 0.42
IGF2R P11717 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL9803850 0.82 NPC1 (0.49) NPC1RAB9APKMPOLBALDH1A1
SCHEMBL4809812 0.77 RAB9A (0.57) NPC1RAB9APKMPOLBALDH1A1
SCHEMBL11993126 0.77 RAB9A (0.57) NPC1RAB9APKMPOLBALDH1A1
SCHEMBL8519976 0.76 RAB9A (0.47) NPC1RAB9APKMPOLBALDH1A1
SCHEMBL24412896 0.76 ALDH1A1 (0.47) NPC1RAB9APKMPOLBALDH1A1
SCHEMBL20509577 0.76 ALDH1A1 (0.47) NPC1RAB9APKMPOLBALDH1A1
SCHEMBL9250759 0.76 RAB9A (0.61) NPC1RAB9APKMPOLBALDH1A1
SCHEMBL9715375 0.75 NPC1 (0.46) NPC1RAB9APKMPOLBALDH1A1
SCHEMBL28363283 0.74 MAPT (0.46) NPC1RAB9APKMPOLBALDH1A1
SCHEMBL305384 0.74 CYP19A1 (0.50) ALDH1A1KMT2AMEN1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814854-A4 CATIONIC CERAMIDES, AND ANALOGS THEREOF, AND THEIR USE FOR PREVENTING OR TREATING CANCER MUSC FOUND FOR RES DEV (US) 2009-08-05 EP disclosed
EP-1814854-A1 CATIONIC CERAMIDES, AND ANALOGS THEREOF, AND THEIR USE FOR PREVENTING OR TREATING CANCER MUSC Foundation For Research Development (US) 2007-08-08 EP disclosed
WO-2006050264-A1 CATIONIC CERAMIDES, AND ANALOGS THEREOF, AND THEIR USE FOR PREVENTING OR TREATING CANCER MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2006-05-11 WO disclosed
US-5834230-A Viscosity Probe MCGILL UNIVERSITY (CA) 1998-11-10 US disclosed
US-4987056-A IMPROVED SENSITIVITY TO VISIBLE LIGHT TOYO BOSEKI KABUSHIKI KAISHA (JP) 1991-01-22 US disclosed