SCHEMBL8964541

SCHEMBL8964541

CCn1c2ccccc2c2cc(O)c(-c3nc4ccc(C)cc4s3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
HPGD P15428 5/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 5/20 0.41
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
POLB P06746 3/20 0.41
GAA P10253 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
PTGER4 P35408 6/20 0.40
TP53 P04637 1/20 0.40
APP P05067 2/20 0.39
KDM1A O60341 1/20 0.39
GLA P06280 1/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 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
SCHEMBL8964583 0.77 NPY5R (0.51) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL8964550 0.77 RPS6KA3 (0.46) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL8964784 0.76 MAPT (0.46) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL25027819 0.72 KDM1A (0.48) NPC1HPGDALDH1A1KDM4EMAPT
SCHEMBL27837417 0.71 NPY5R (0.52) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL29643308 0.70 MAPT (0.67) HPGDALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL156150 0.70 MAPT (0.67) HPGDALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL9119652 0.70 MAPT (0.57) HPGDALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL2790890 0.69 MAPT (0.69) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL27769428 0.68 MAPT (0.68) NPC1RAB9AHPGDALDH1A1KDM4E

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-5587112-A DETECTION AND MEASUREMENT OF HIGH ENERGY PARTICLES AND ELECTROMAGNETC RADIATION PHILADELPHIA COLLEGE OF PHARMACY AND SCIENCE (US) 1996-12-24 US disclosed