SCHEMBL28102448

SCHEMBL28102448

N=C(N)c1cc(C(=O)c2ccccc2)cnc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.44
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
VNN1 O95497 4/20 0.41
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
F12 P00748 1/20 0.40
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
PKM P14618 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
CHEK2 O96017 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL28102590 0.82 MAPT (0.50) ALOX15HTTALDH1A1MAPTGAA
SCHEMBL28102515 0.82 RXFP1 (0.50) HTTALDH1A1MAPTGAAVNN1
SCHEMBL11750033 0.79 PBRM1 (0.50) PBRM1ALOX15HTTALDH1A1ATM
SCHEMBL27602501 0.74 PDGFRB (0.54) ALDH1A1ATML3MBTL1MAPTGAA
SCHEMBL28102456 0.73 F2 (0.44) PBRM1HTTALDH1A1MAPTGAA
SCHEMBL28239 0.72 CHRNA7 (0.48) ALOX15HTTALDH1A1ATMMAPT
SCHEMBL1516765 0.72 MAPT (0.61) PBRM1ALOX15HTTALDH1A1MAPT
Benzophenone SCHEMBL6678679 0.72 ALDH1A1 (0.82) PBRM1ALDH1A1ATMTDP1L3MBTL1
Benzophenone SCHEMBL28888896 0.72 ALDH1A1 (0.82) PBRM1ALDH1A1ATMTDP1L3MBTL1
SCHEMBL17008169 0.71 AKR1C3 (0.63) ALDH1A1ATMTDP1L3MBTL1MAPT

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-102933578-B Cyano-quinoline derivatives 天津和美生物技术有限公司 2016-09-07 CN disclosed