SCHEMBL13445703

SCHEMBL13445703

CC1C=Cc2sc3ccccc3c2C=C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.40
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HTR2A P28223 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
G6PD P11413 1/20 0.31
CASP3 P42574 1/20 0.31
MAOB P27338 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
CASP1 P29466 1/20 0.30

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
SCHEMBL19299443 1.00 GPR3 (0.40) GPR3ALDH1A1SMN1; SMN2TDP1CYP1A1
SCHEMBL6545120 0.78 GPR3 (0.52) GPR3ALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL19721362 0.77 HPGD (0.36) ALDH1A1SMN1; SMN2HPGDRAB9ALMNA
SCHEMBL16383563 0.74
SCHEMBL21102041 0.73 GPR3 (0.35) GPR3ALDH1A1CYP1A1CYP1A2CYP3A4
SCHEMBL19658343 0.72 CYP1A2 (0.32) CYP1A2
SCHEMBL17528782 0.71 GPR3 (0.40) GPR3ALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL19721212 0.70 GPR3 (0.43) GPR3ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL278665 0.70 GPR3 (0.43) GPR3ALDH1A1SMN1; SMN2CYP1A1CYP1A2
SCHEMBL23799239 0.70 GPR3 (0.39) GPR3ALDH1A1SMN1; SMN2TDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220140255-A1 ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2022-05-05 US disclosed
EP-3481796-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-02-17 EP disclosed
EP-3731291-A1 CHARGE-TRANSPORTING VARNISH AND CHARGE-TRANSPORTING THIN FILM Nissan Chemical Corporation (JP) 2020-10-28 EP disclosed
WO-2019199911-A1 PHOTOSWITCHABLE DIBENZOTHIENYLMETHYL TRIPHENYLPHOSPHONIUM DERIVATIVES AND METHODS OF TREATING CANCER THEREWITH SAINT LOUIS UNIVERSITY (US) 2019-10-17 WO disclosed
EP-3318566-A1 AZADIBENZOFURANS FOR ELECTRONIC APPLICATIONS UDC Ireland Limited (IE) 2018-05-09 EP disclosed