SCHEMBL3731044

SCHEMBL3731044

O=c1ccc2ccccc2n1NCCc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
ALOX15 P16050 1/20 0.48
CYP1A2 P05177 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
NTRK3 Q16288 1/20 0.42
APP P05067 2/20 0.41
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
PKM P14618 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
CASP3 P42574 1/20 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
SCHEMBL3732232 0.92 APP (0.43) HRH3LMNAALDH1A1TAAR1ALOX15
SCHEMBL3728484 0.86 SMN1; SMN2 (0.43) ALDH1A1NTRK3HSD17B10MAOBNPC1
SCHEMBL3733823 0.76 MKNK1 (0.44) LMNACYP1A2MEN1NPC1RAB9A
SCHEMBL3733975 0.75 CA12 (0.49) ALDH1A1TAAR1CYP1A2CYP2C19KMT2A
SCHEMBL6436320 0.75 CA12 (0.49) LMNAALDH1A1MAOBKMT2A
SCHEMBL1054259 0.75 NTRK1 (0.42) ALDH1A1CYP1A2CYP2C19MEN1NPC1
SCHEMBL3737684 0.73 CA12 (0.53) LMNAALDH1A1HSD17B10RAB9AKMT2A
SCHEMBL20547078 0.73 GABRA5 (0.50) LMNAALDH1A1NTRK3MEN1KMT2A
SCHEMBL3733770 0.73 CA12 (0.42) LMNAALDH1A1ALOX15TDP1MEN1
SCHEMBL3728433 0.71 KAT2B (0.45) ALDH1A1CYP1A2CYP2C19HSD17B10

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-7825132-B2 Inhibition of FGFR3 and treatment of multiple myeloma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-11-02 US disclosed