SCHEMBL10500236

SCHEMBL10500236

C/C=C(\Cl)c1cccc2cc3ccccc3cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 3/20 0.53
GAA P10253 2/20 0.53
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 3/20 0.34
HIF1A Q16665 1/20 0.34
CYP1B1 Q16678 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NQO1 P15559 1/20 0.34
CYP1A2 P05177 3/20 0.34
HPGD P15428 2/20 0.34
NR4A1 P22736 1/20 0.33
NR4A2 P43354 1/20 0.33
NR4A3 Q92570 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
GLA P06280 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL10500242 1.00 ALDH1A1 (0.53) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL10499443 0.82 NR4A1 (0.50) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL10499433 0.82 NR4A1 (0.50) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL1610206 0.78 ALDH1A1 (0.53) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL1327792 0.77 ALDH1A1 (0.67) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL29520979 0.77 ALDH1A1 (0.67) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL27564962 0.77 ALDH1A1 (0.56) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL10499388 0.76 HPRT1 (0.50) ALDH1A1MAPTHSD17B10HIF1ACYP1B1
SCHEMBL16703321 0.74 KDM4E (0.62) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL1612416 0.73 ALDH1A1 (0.56) ALDH1A1KDM4EGAAMEN1KMT2A

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
US-4835312-A Production process of N-substituted amide compounds MITSUI CHEMICALS, INCORPORATED (JP) 1989-05-30 US disclosed