SCHEMBL1974677

SCHEMBL1974677

O=C(Nc1ccc(Br)cc1)c1ccc2[nH]c(Nc3cc(Cl)ccc3OC(F)(F)F)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
PTGES O14684 1/20 0.39
HPSE Q9Y251 3/20 0.39
TP53 P04637 2/20 0.38
KLF5 Q13887 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DGAT1 O75907 1/20 0.38
ABL1 P00519 2/20 0.38
AVPR2 P30518 1/20 0.38

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
SCHEMBL13393462 0.93 MTOR (0.43) MTORPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL1973014 0.89 MTOR (0.48) MTORMEN1KMT2ASMN1; SMN2HTT
SCHEMBL3132015 0.84 POLB (0.50) MTORPOLBKMT2ASMN1; SMN2NPC1
SCHEMBL16318710 0.84 PTGES (0.45) MTORMEN1KMT2ASMN1; SMN2HTT
SCHEMBL1974244 0.84 MAPT (0.49) POLBMEN1KMT2ASMN1; SMN2MMP2
SCHEMBL1969892 0.79 DGAT1 (0.43) MEN1KMT2AMMP2MMP9MMP8
SCHEMBL1970703 0.78 DGAT1 (0.46) POLBMEN1KMT2ASMN1; SMN2MMP2
SCHEMBL1972015 0.77 MMP2 (0.44) MEN1KMT2AHTTMMP2MMP9
SCHEMBL1974657 0.77 DGAT1 (0.46) MEN1KMT2ASMN1; SMN2MMP2MMP9
SCHEMBL1977175 0.77 MMP2 (0.52) MTORMEN1KMT2AMMP2MMP9

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 claimed