SCHEMBL9030873

SCHEMBL9030873

COc1c(Cl)cccc1C(N)c1cc2ccccc2o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 4/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP2D6 P10635 1/20 0.36
HIF1A Q16665 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35

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
SCHEMBL9025551 0.79 KDM4E (0.43) ALDH1A1TSHRKDM4EHPGDTAAR1
SCHEMBL9025894 0.78 MAPT (0.36) DRD2ALDH1A1TSHRKDM4EHPGD
SCHEMBL9026646 0.77 TSHR (0.44) ALDH1A1TSHRKDM4EHPGDTAAR1
SCHEMBL9026850 0.75 KDM4E (0.50) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL9025501 0.75 HPGD (0.50) ALDH1A1TSHRKDM4EHPGDTAAR1
SCHEMBL9026165 0.74 ALDH1A1 (0.43) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL9026001 0.74 KMT2A (0.42) DRD2ALDH1A1TSHRKDM4EHPGD
SCHEMBL9216010 0.74 RAB9A (0.42) ALDH1A1TSHRKDM4EHPGDTAAR1
SCHEMBL9025085 0.74 RAB9A (0.43) ALDH1A1TSHRKDM4EHPGDTAAR1
SCHEMBL9024885 0.74 KDM4E (0.43) ALDH1A1TSHRKDM4EHPGDTAAR1

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
EP-0711290-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1996-05-15 EP disclosed