SCHEMBL27992256

SCHEMBL27992256

O=C(c1nc(-c2ccc(Br)cc2)c[nH]1)c1nc(-c2ccc(Br)cc2)c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.42
RXFP1 Q9HBX9 1/20 0.41
XDH P47989 1/20 0.41
LMNA P02545 1/20 0.39
METAP2 P50579 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CASP1 P29466 1/20 0.36
EPRS1 P07814 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL15135573 0.92 LMNA (0.43) MCL1RXFP1LMNAMETAP2MEN1
SCHEMBL28794429 0.88 MCL1 (0.49) MCL1RXFP1EPRS1
SCHEMBL27662263 0.81 TP53 (0.41) LMNAMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL2631442 0.79 NPC1 (0.38) MCL1RXFP1XDHLMNAMETAP2
SCHEMBL858475 0.79 HTT (0.53) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL15135518 0.79 TUBB4A (0.51) LMNASMN1; SMN2
SCHEMBL15135533 0.76 AKR1B1 (0.50) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL15135658 0.75 NPC1 (0.51) LMNAMETAP2MEN1KMT2ANPC1
SCHEMBL15135555 0.75 NPC1 (0.51) RXFP1LMNAMEN1KMT2ANPC1
SCHEMBL15135444 0.75 MAP4K4 (0.43) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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
CN-102875473-B Preparation method of replaced-2-carbonyl imidazole compound UNIV ZHEJIANG 2014-11-26 CN disclosed