SCHEMBL21915328

SCHEMBL21915328

Cn1c2ccccc2c2cc(Cc3ccc4sc5ccccc5c4c3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 2/20 0.46
▸ KDM4E B2RXH2 5/20 0.44
▸ MAPT P10636 5/20 0.44
▸ HPGD P15428 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ TSHR P16473 1/20 0.40
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ HCRTR1 O43613 2/20 0.39
▸ HCRTR2 O43614 2/20 0.39
▸ RORC P51449 1/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL19652651 0.93 HPGD (0.43) GPR3KDM4EMAPTHPGDALDH1A1
SCHEMBL19652647 0.93 HPGD (0.43) GPR3KDM4EMAPTHPGDALDH1A1
SCHEMBL19652601 0.88 GPR3 (0.40) GPR3KDM4EMAPTHPGDALDH1A1
SCHEMBL17297019 0.86 GPR3 (0.61) GPR3KDM4EMAPTHPGDALDH1A1
SCHEMBL19652614 0.86 KDM4E (0.40) GPR3KDM4EMAPTHPGDALDH1A1
SCHEMBL21915323 0.85 GPR3 (0.40) GPR3KDM4EMAPTHPGDALDH1A1
SCHEMBL19652591 0.84 KDM4E (0.40) GPR3KDM4EMAPTHPGDALDH1A1
SCHEMBL19652611 0.84 KDM4E (0.40) GPR3KDM4EMAPTHPGDALDH1A1
SCHEMBL19001741 0.84 GPR3 (0.50) GPR3KDM4EMAPTHPGDALDH1A1
SCHEMBL19652587 0.83 GPR3 (0.57) GPR3KDM4EMAPTHPGDALDH1A1

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
WO-2020062375-A1 1,2,4-THIADIAZOLE COMPOUNDS AND PREPARATION METHOD THEREFOR AND USE THEREOF 武汉尚赛光电科技有限公司 2020-04-02 — — WO disclosed
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