SCHEMBL4780900

SCHEMBL4780900

COc1ccc(-c2cn3ccccc3n2)cc1Br

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 15/20 0.76
NPC1 O15118 14/20 0.76
KDM4E B2RXH2 10/20 0.76
SMN1; SMN2 Q16637 10/20 0.76
ALDH1A1 P00352 9/20 0.76
HPGD P15428 5/20 0.76
PKM P14618 5/20 0.76
MAPK1 P28482 3/20 0.76
TP53 P04637 2/20 0.76
HSD17B10 Q99714 2/20 0.76
TSHR P16473 1/20 0.76
NFKB1 P19838 2/20 0.70
NFKB2 Q00653 2/20 0.70
RELA Q04206 2/20 0.70
ALOX12 P18054 1/20 0.70
MAPT P10636 7/20 0.66
GAA P10253 2/20 0.66
RECQL P46063 1/20 0.66
GLA P06280 1/20 0.66
HTT P42858 2/20 0.65

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
SCHEMBL6389879 0.88 RAB9A (0.97) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4728826 0.84 RAB9A (0.76) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL20370639 0.83 RAB9A (1.00) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL8342931 0.83 RAB9A (0.78) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL12848509 0.82 RAB9A (0.76) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL12848506 0.81 RAB9A (0.79) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
Bromide SCHEMBL6525392 0.81 RAB9A (0.79) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL12848498 0.80 RAB9A (0.68) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL6387639 0.80 RAB9A (0.64) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL14764811 0.79 TLR9 (0.63) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1

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
WO-2008029152-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2008-03-13 WO disclosed