SCHEMBL1973642

SCHEMBL1973642

O=C(Nc1ccc(Br)cc1)c1ccc2[nH]cnc2c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.61
POLB P06746 3/20 0.61
HTT P42858 1/20 0.61
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
KMT2A Q03164 5/20 0.57
MEN1 O00255 3/20 0.57
MAPT P10636 2/20 0.57
TP53 P04637 1/20 0.54
QPCT Q16769 1/20 0.53
HDAC6 Q9UBN7 1/20 0.52
NAMPT P43490 1/20 0.51
ESR1 P03372 1/20 0.50
CYP3A4 P08684 1/20 0.49
P2RY6 Q15077 1/20 0.49
P2RY14 Q15391 1/20 0.49

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
SCHEMBL8769868 0.89 SMN1; SMN2 (0.64) SMN1; SMN2POLBHTTNPC1RAB9A
SCHEMBL4463141 0.86 NPC1 (0.53) SMN1; SMN2POLBHTTNPC1RAB9A
SCHEMBL3147407 0.86 POLB (0.60) SMN1; SMN2POLBHTTNPC1RAB9A
SCHEMBL21254596 0.83 SMN1; SMN2 (0.57) SMN1; SMN2POLBHTTNPC1RAB9A
SCHEMBL7399035 0.82 KDM4E (0.56) SMN1; SMN2POLBHTTNPC1RAB9A
SCHEMBL1666122 0.82 RAB9A (0.80) SMN1; SMN2POLBHTTNPC1RAB9A
SCHEMBL1608962 0.81 HDAC6 (0.77) SMN1; SMN2POLBHTTNPC1RAB9A
SCHEMBL12411719 0.80 NPC1 (0.60) SMN1; SMN2POLBHTTNPC1RAB9A
SCHEMBL1666119 0.80 RAB9A (0.77) SMN1; SMN2POLBHTTNPC1RAB9A
SCHEMBL1382753 0.79 DEGS1 (0.54) SMN1; SMN2POLBHTTNPC1RAB9A

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
EP-2334652-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-06-22 EP disclosed