SCHEMBL28185641

SCHEMBL28185641

COc1ccc(-c2cccc(N)c2[N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.47
HTR7 P34969 1/20 0.44
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
ABL1 P00519 1/20 0.42
ABCB1 P08183 1/20 0.42
BCR P11274 1/20 0.42
CCNE2 O96020 1/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HPGD P15428 3/20 0.42

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
SCHEMBL18438030 0.85 RAB9A (0.49) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL31006744 0.84 APP (0.49) APPHTR7MAPTNPC1RAB9A
SCHEMBL5838057 0.84 MAPT (0.50) MAPTSMN1; SMN2TSHRHPGDALDH1A1
SCHEMBL28233631 0.83 HTR7 (0.52) APPHTR7NPC1RAB9ASMN1; SMN2
SCHEMBL13983293 0.82 APP (0.47) APPHTR7MAPTABL1ABCB1
SCHEMBL28184960 0.81 BRD4 (0.41) RAB9AHDAC8ALDH1A1
SCHEMBL1556277 0.80 ALDH1A1 (0.53) MAPTNPC1RAB9ASMN1; SMN2HDAC2
SCHEMBL28184979 0.80 KMT2A (0.49) MAPTSMN1; SMN2TSHRHPGDALDH1A1
SCHEMBL339121 0.80 PLK4 (0.39) MAPTNPC1RAB9ACDK2ALDH1A1
SCHEMBL28184976 0.80 PTGS2 (0.44) MAPTABL1ALDH1A1NFE2L2MAP2K1

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-104011010-B Bisaniline compounds and its manufacture method 组合化学工业株式会社 2017-11-28 CN disclosed