SCHEMBL9622149

SCHEMBL9622149

c1ccc2c(-c3ncc[nH]3)c(-c3cscn3)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.42
METAP1 P53582 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
METAP2 P50579 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 2/20 0.41
RAB9A P51151 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
FKBP1A P62942 1/20 0.41
HIF1A Q16665 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
IDO1 P14902 4/20 0.39
TDO2 P48775 1/20 0.39

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
SCHEMBL3684945 0.81 F2RL1 (0.49) F2RL1METAP1SMN1; SMN2METAP2KDM4E
SCHEMBL14886220 0.79 CSNK1A1 (0.53) SMN1; SMN2KDM4ENPC1TP53RAB9A
SCHEMBL9682527 0.78 NISCH (0.54) SMN1; SMN2KDM4ENPC1RAB9ATDP1
SCHEMBL5914840 0.76 NISCH (0.41) SMN1; SMN2KDM4ENPC1RAB9ATDP1
SCHEMBL9622878 0.74 BRD4 (0.36) METAP1SMN1; SMN2METAP2KDM4ENPC1
SCHEMBL7397776 0.73 MAPT (0.50) SMN1; SMN2KDM4ENPC1TDP1CYP1A2
SCHEMBL6179554 0.72 METAP1 (0.46) F2RL1METAP1SMN1; SMN2METAP2KDM4E
SCHEMBL8342759 0.72 ADRA2A (0.46) SMN1; SMN2KDM4ENPC1TP53RAB9A
SCHEMBL3053174 0.72 ADRA2A (0.46) SMN1; SMN2TDP1CYP1A2CYP3A4TSHR
SCHEMBL26259959 0.72 METAP2 (0.44) F2RL1METAP1SMN1; SMN2METAP2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0206030-B1 PHOTOCURABLE COMPOSITION SEKISUI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-01-02 EP disclosed
US-4756994-A Ethylenically unsaturated monomer, photopolymerizable monomer, polymerization inhibitor, nitrogen-containing compound SEKISUI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-07-12 US disclosed
EP-0206030-A2 Photocurable composition SEKISUI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1986-12-30 EP disclosed