SCHEMBL10069965

SCHEMBL10069965

CCCCC(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 1.00
ALDH1A1 P00352 5/20 1.00
MEN1 O00255 4/20 1.00
SMN1; SMN2 Q16637 5/20 0.76
RAB9A P51151 3/20 0.65
TSHR P16473 1/20 0.65
MAPK10 P53779 1/20 0.65
MAPT P10636 4/20 0.64
HSD17B10 Q99714 1/20 0.64
TP53 P04637 2/20 0.63
PKM P14618 1/20 0.62
MAPK1 P28482 2/20 0.58
NPC1 O15118 1/20 0.58
KDM4E B2RXH2 2/20 0.57
PPARA Q07869 1/20 0.56
F2R P25116 2/20 0.56
HSP90AA1 P07900 1/20 0.55
POLB P06746 1/20 0.55
HTT P42858 1/20 0.55
DUSP3 P51452 1/20 0.55

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
SCHEMBL10069967 0.92 KMT2A (0.85) KMT2AALDH1A1MEN1SMN1; SMN2RAB9A
SCHEMBL10069964 0.86 SMN1; SMN2 (1.00) KMT2AALDH1A1MEN1SMN1; SMN2RAB9A
SCHEMBL10069460 0.85 KMT2A (0.73) KMT2AALDH1A1MEN1SMN1; SMN2RAB9A
SCHEMBL10969527 0.84 KDM4E (0.72) KMT2AALDH1A1MEN1SMN1; SMN2RAB9A
SCHEMBL27710689 0.83 GAA (0.71) KMT2AALDH1A1MEN1SMN1; SMN2RAB9A
SCHEMBL882468 0.81 F2R (0.85) KMT2AALDH1A1MEN1SMN1; SMN2RAB9A
SCHEMBL10069980 0.80 KMT2A (0.73) KMT2AALDH1A1MEN1SMN1; SMN2RAB9A
SCHEMBL11901010 0.80 LMNA (0.69) KMT2AALDH1A1MEN1SMN1; SMN2RAB9A
SCHEMBL971281 0.80 MEN1 (0.65) KMT2AALDH1A1MEN1SMN1; SMN2RAB9A
SCHEMBL882798 0.80 F2R (0.68) KMT2AALDH1A1MEN1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422262-B2 Compounds and methods for treating diseases mediated by protease activated receptors THE BROAD INSTITUTE, INC. (US) 2016-08-23 US disclosed
US-9422262-B2 Compounds and methods for treating diseases mediated by protease activated receptors THE BROAD INSTITUTE, INC. (US) 2016-08-23 US disclosed
WO-2012040636-A2 COMPOUNDS AND METHODS FOR TREATING DISEASES MEDIATED BY PROTEASE ACTIVATED RECEPTORS THE BROAD INSTITUTE, INC. (US) 2012-03-29 WO disclosed