SCHEMBL31591007

SCHEMBL31591007

c1ccc2[nH]c(-c3cccc4ccccc34)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.58
CHEK1 O14757 1/20 0.58
KDM4E B2RXH2 5/20 0.57
RAB9A P51151 4/20 0.57
MAPT P10636 4/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 3/20 0.57
HPGD P15428 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
NPC1 O15118 4/20 0.55
ITK Q08881 1/20 0.53
GSK3B P49841 1/20 0.53
CDK5 Q00535 1/20 0.53
CDK5R1 Q15078 1/20 0.53
GAA P10253 2/20 0.51
ALPL P05186 1/20 0.51
AURKA O14965 1/20 0.51
POLB P06746 2/20 0.50

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
SCHEMBL2187575 1.00 KDR (0.58) KDRCHEK1KDM4ERAB9AMAPT
SCHEMBL29375783 1.00 KDR (0.58) KDRCHEK1KDM4ERAB9AMAPT
SCHEMBL10176240 0.96 KDR (0.61) KDRCHEK1KDM4ERAB9AMAPT
SCHEMBL11363931 0.90 KDR (0.63) KDRCHEK1KDM4ERAB9AMAPT
Acetic Acid SCHEMBL29113892 0.89 KDR (0.51) KDRCHEK1KDM4ERAB9AMAPT
SCHEMBL5051826 0.86 KDR (0.68) KDRCHEK1KDM4ERAB9AMAPT
SCHEMBL13814199 0.84 RAB9A (0.56) KDRCHEK1KDM4ERAB9AMAPT
SCHEMBL31655505 0.84 KDR (0.53) KDRCHEK1KDM4ERAB9AMAPT
Methane SCHEMBL28704887 0.84 KDR (0.66) KDRCHEK1KDM4ERAB9AMAPT
Benzene SCHEMBL27629233 0.84 RAB9A (0.69) KDRCHEK1KDM4ERAB9AMAPT

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
CN-120051462-A Heterocyclic compound and organic light-emitting device comprising same LT素材株式会社 2025-05-27 CN disclosed