SCHEMBL9035491

SCHEMBL9035491

C1=CC(c2cccs2)(C2CC2)Oc2c1ccc1ccccc21

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.33
SLC6A4 P31645 8/20 0.33
SLC6A3 Q01959 8/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2C P28335 3/20 0.32
HTR2A P28223 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ICMT O60725 1/20 0.31

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
SCHEMBL9035725 0.81 HTR2C (0.33) HTR2CHTR2A
SCHEMBL9035611 0.81 HTR2C (0.31) HTR2CHTR2A
SCHEMBL9035829 0.81 HTR2C (0.34) HTR2CHTR2A
SCHEMBL9035449 0.74 NFKB1 (0.41) SLC6A2SLC6A4SLC6A3CHRM2MAPT
SCHEMBL4625971 0.70 HTR2C (0.36) SLC6A2SLC6A4SLC6A3HTR2CHTR2A
SCHEMBL4538261 0.70 HTR2C (0.34) HTR2CHTR2A
SCHEMBL29756154 0.70 HTR2C (0.34) HTR2CHTR2A
SCHEMBL8681014 0.68 ALDH1A1 (0.39) HTR2CHTR2AKDM4EMEN1ALDH1A1
SCHEMBL9917550 0.66 HSD17B10 (0.43) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL15196167 0.66 ALDH1A1 (0.37) KDM4EMEN1ALDH1A1LMNAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0540690-B1 PHOTOCHROMIC CHROMENE COMPOUNDS PPG INDUSTRIES INC (US) 1996-05-29 EP disclosed
US-5200116-A Which experience a reversible change from colorless to orange upon exposure to sunlight PPG INDUSTRIES, INC. (US) 1993-04-06 US disclosed