SCHEMBL10944396

SCHEMBL10944396

O=C(Cl)Oc1occ2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.37
KMT2A Q03164 3/20 0.37
NCEH1 Q6PIU2 9/20 0.36
LMNA P02545 2/20 0.36
MAOB P27338 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PGR P06401 1/20 0.33
GAA P10253 1/20 0.33
PTGS1 P23219 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
RAB9A P51151 1/20 0.33
NR4A1 P22736 1/20 0.32
NR4A2 P43354 1/20 0.32
NR4A3 Q92570 1/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL6001561 0.74 ALDH1A1 (0.38) HSD17B10KMT2AALDH1A1KDM4EMEN1
SCHEMBL3383913 0.72 KDM4E (0.35) HSD17B10KMT2AMAOBALDH1A1GAA
SCHEMBL6013736 0.72 HSD17B10 (0.33) HSD17B10KMT2AALDH1A1KDM4EMEN1
SCHEMBL9564638 0.71 KMT2A (0.42) HSD17B10KMT2AALDH1A1KDM4EMEN1
SCHEMBL29529441 0.71 ALDH1A1 (0.41) HSD17B10MAOBSMN1; SMN2ALDH1A1MAPK1
SCHEMBL28244381 0.71 ALDH1A1 (0.35) HSD17B10ALDH1A1KDM4ECYP1A2HPGD
SCHEMBL5359604 0.70 ALDH1A1 (0.31) HSD17B10ALDH1A1TDP1
SCHEMBL27560293 0.70 ALDH1A1 (0.31) HSD17B10ALDH1A1TDP1
SCHEMBL547450 0.70 PTPN1 (0.39) HSD17B10KMT2AMAOBSMN1; SMN2ALDH1A1
SCHEMBL6546273 0.68 ALDH1A1 (0.48) HSD17B10KMT2AALDH1A1GAAKDM4E

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-4514398-A Disubstituted polymethylene imines ADIR (FR) 1985-04-30 US disclosed