SCHEMBL19784888

SCHEMBL19784888

Cc1ccc(Nc2ccc(-c3ccc4sc5ccccc5c4c3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
PTGIR P43119 1/20 0.43
GPR3 P46089 1/20 0.42
DHODH Q02127 1/20 0.41
TP53 P04637 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM1A O60341 1/20 0.40
MAPKAPK2 P49137 2/20 0.39
MMP13 P45452 3/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
LMNA P02545 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38

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
SCHEMBL17550951 0.92 GPR3 (0.50) HPGDMAPTSMN1; SMN2MEN1RAB9A
SCHEMBL9917184 0.91 GPR3 (0.52) HPGDMAPTSMN1; SMN2MEN1RAB9A
SCHEMBL9917121 0.91 GPR3 (0.52) HPGDMAPTSMN1; SMN2MEN1RAB9A
SCHEMBL9917143 0.91 GPR3 (0.52) HPGDMAPTSMN1; SMN2MEN1RAB9A
SCHEMBL14902267 0.89 GPR3 (0.47) HPGDMAPTSMN1; SMN2MEN1RAB9A
SCHEMBL29839679 0.89 GPR3 (0.47) HPGDMAPTSMN1; SMN2MEN1RAB9A
SCHEMBL17740737 0.89 PTGIR (0.52) HPGDMAPTSMN1; SMN2MEN1RAB9A
SCHEMBL21742736 0.89 GPR3 (0.47) HPGDMAPTSMN1; SMN2RAB9APTGIR
SCHEMBL14902261 0.89 GPR3 (0.47) HPGDMAPTSMN1; SMN2RAB9APTGIR
SCHEMBL18311788 0.89 PTGIR (0.52) HPGDMAPTSMN1; SMN2MEN1RAB9A

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-2018012780-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2018-01-18 WO disclosed