SCHEMBL14523522

SCHEMBL14523522

Cc1cc2sc3cc(N(Cc4ccccc4)Cc4ccccc4)c(N(Cc4ccccc4)Cc4ccccc4)cc3c2cc1C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.40
▸ NR3C1 P04150 10/20 0.38
▸ TSHR P16473 2/20 0.38
▸ PGR P06401 1/20 0.36
▸ NR3C2 P08235 1/20 0.36
▸ AR P10275 1/20 0.36
▸ CRHR1 P34998 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ TSPO P30536 1/20 0.34
▸ TACR1 P25103 1/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ AOC3 Q16853 1/20 0.33
▸ LMNA P02545 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
SCHEMBL14523482 0.91 CYP2C19 (0.42) CYP2C19NR3C1TSHRPGRNR3C2
SCHEMBL13672155 0.83 CYP2C19 (0.36) CYP2C19NR3C1TSHRPGRNR3C2
SCHEMBL13671573 0.76 APP (0.31) ALDH1A1
SCHEMBL14523548 0.76 NQO1 (0.44) CYP2C19NR3C1TSHRPGRNR3C2
SCHEMBL13671827 0.74 BCL2 (0.44) CYP2C19TSHR
SCHEMBL13343055 0.70 LDHA (0.47) CYP2C19TSHR
SCHEMBL14523520 0.70 MAPT (0.47) —
SCHEMBL14523521 0.70 POLB (0.41) ALDH1A1LMNA
SCHEMBL14523523 0.70 NR1H2 (0.32) ALDH1A1
SCHEMBL11976505 0.70 GAA (0.42) TSHRALDH1A1

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-7208567-B2 Polymer compound and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-04-24 — — US disclosed
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