SCHEMBL7749400

SCHEMBL7749400

BrCc1ccc(-c2ccccc2)c(-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.32
GRM5 P41594 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HSP90AB1 P08238 1/20 0.30
ESR1 P03372 2/20 0.30

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
SCHEMBL27315990 0.90 AGTR1 (0.43) AGTR1ABCG2SMN1; SMN2POLBRAB9A
SCHEMBL3875056 0.89 AGTR1 (0.49) AGTR1ABCG2SMN1; SMN2POLBRAB9A
SCHEMBL21083692 0.88 AGTR1 (0.42) AGTR1ABCG2SMN1; SMN2POLBRAB9A
SCHEMBL8783660 0.88 SMN1; SMN2 (0.40) AGTR1ABCG2SMN1; SMN2POLBRAB9A
SCHEMBL6624598 0.85 SMN1; SMN2 (0.42) AGTR1SMN1; SMN2POLBRAB9AL3MBTL1
SCHEMBL5091164 0.83 POLB (0.43) AGTR1SMN1; SMN2POLBRAB9AL3MBTL1
SCHEMBL30743612 0.82 ABCG2 (0.55) AGTR1ABCG2SMN1; SMN2POLBRAB9A
SCHEMBL9177078 0.81 AGTR1 (0.39) AGTR1ABCG2POLBHPGDALDH1A1
SCHEMBL2161550 0.81 ABCG2 (0.41) AGTR1ABCG2SMN1; SMN2POLBRAB9A
SCHEMBL21083769 0.80 AGTR1 (0.41) AGTR1ABCG2SMN1; SMN2POLBRAB9A

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
CN-102491971-A Chiral ((4-methyl-2-propyl-1H-benzimidazole-6-amide)-1-radical) methyl diphenyl compound, as well as preparation method and application thereof BEIJING INST TECHNOLOGY 2012-06-13 CN disclosed
US-6214999-B1 A BROMINATING AGENT IS REACTED IN A 2 PHASE MEDIUM, UNDER EFFECT PHOTO-IRRADIATION WITH BIPHENYL DERIVATIVE SANOFI-SYNTHELABO (FR) 2001-04-10 US disclosed