SCHEMBL27397239

SCHEMBL27397239

Cc1ccc(Cl)c(-c2ccccc2)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP3 P42574 1/20 0.42
HBB P68871 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PLA2G7 Q13093 1/20 0.42
PTGS1 P23219 3/20 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
SCHEMBL27930519 0.85 FABP3 (0.41) SMN1; SMN2LMNACYP1A2CYP3A4NPC1
SCHEMBL28802185 0.79 CYP3A4 (0.44) SMN1; SMN2ALDH1A1LMNAHPGDCYP3A4
SCHEMBL30159162 0.79 FABP3 (0.41) ALDH1A1LMNACYP1A2TSHRMAPK1
SCHEMBL28110787 0.79 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL29640023 0.79 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL28448795 0.79 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1KDM4ELMNAGLA
SCHEMBL27685032 0.78 NPC1 (0.52) SMN1; SMN2ALDH1A1CYP3A4NPC1RAB9A
SCHEMBL27396073 0.77 CYP1A1 (0.51) SMN1; SMN2ALDH1A1KDM4ELMNAGLA
SCHEMBL20108554 0.77 FABP4 (0.53) ALDH1A1LMNATSHRPTGS1PTGS2
SCHEMBL28155065 0.76 MAPT (0.42) SMN1; SMN2ALDH1A1KDM4ELMNAHPGD

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-1091420-A Process for the preparation of diphenylamine derivatives YONGXIN MEDICINES AND CHEMICAL (CN) 1994-08-31 CN disclosed