SCHEMBL10864800

SCHEMBL10864800

NC(=O)C1CCN(c2cc(-c3ccc(Br)cc3)nc3ccccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 1/20 0.55
TSHR P16473 1/20 0.54
KDM4E B2RXH2 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MOK Q9UQ07 1/20 0.50
RXFP1 Q9HBX9 2/20 0.48
PPARG P37231 1/20 0.48
ATM Q13315 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
GRM2 Q14416 1/20 0.45

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
SCHEMBL10865983 0.89 NPC1 (0.55) KMT2ANPC1RAB9ASMN1; SMN2TSHR
SCHEMBL10864867 0.89 L3MBTL1 (0.55) KMT2ANPC1RAB9ASMN1; SMN2TSHR
SCHEMBL10866084 0.89 TSHR (0.54) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL10864983 0.80 KMT2A (0.52) KMT2ANPC1RAB9ASMN1; SMN2TSHR
SCHEMBL10865350 0.80 KDM4E (0.59) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL10864689 0.80 HTR1A (0.53) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL11000678 0.80 KDM4E (0.55) KMT2ASMN1; SMN2MEN1TSHRKDM4E
SCHEMBL10866115 0.79 KMT2A (0.58) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL10998533 0.79 KMT2A (0.53) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL10865581 0.79 SCN9A (0.57) KMT2ANPC1RAB9ASMN1; SMN2MEN1

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-0168812-A1 4-Amino-2-phenyl quinolines, methods and intermediates for their preparation and medicaments containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-01-22 EP disclosed
US-4560692-A ANTICONVULSANTS OR ANXIOLYTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1985-12-24 US disclosed