SCHEMBL23601602

SCHEMBL23601602

Cc1cccc(-c2ccc(-c3nccs3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.59
LOXL2 Q9Y4K0 1/20 0.53
ADRB2 P07550 1/20 0.49
CYP2A6 P11509 1/20 0.49
CTSA P10619 1/20 0.47
SRC P12931 1/20 0.47
CDK2 P24941 1/20 0.47
ZAP70 P43403 1/20 0.47
SYK P43405 1/20 0.47
ENPP3 O14638 1/20 0.43
KDR P35968 1/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
MAP4K4 O95819 1/20 0.41
ABL1 P00519 2/20 0.41
BCR P11274 2/20 0.41
SMPD3 Q9NY59 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL13025 0.91 PDPK1 (0.60) PDPK1LOXL2ADRB2CYP2A6CTSA
SCHEMBL5147639 0.80 PDPK1 (0.91) PDPK1LOXL2ADRB2CYP2A6KDR
SCHEMBL558643 0.80 PDPK1 (0.63) PDPK1LOXL2ADRB2CYP2A6ALDH1A1
SCHEMBL24721069 0.80 PDPK1 (0.54) PDPK1LOXL2ADRB2CYP2A6CTSA
SCHEMBL14777142 0.79 CTSA (0.42) PDPK1LOXL2ADRB2CYP2A6CTSA
SCHEMBL4425765 0.79 PDPK1 (0.74) PDPK1LOXL2ADRB2CYP2A6CTSA
SCHEMBL16159287 0.78 PDPK1 (0.67) PDPK1LOXL2ADRB2CYP2A6KDR
Water SCHEMBL20550178 0.78 ADRB2 (0.62) PDPK1LOXL2ADRB2CYP2A6ALDH1A1
SCHEMBL15805858 0.78 PDPK1 (0.72) PDPK1LOXL2ADRB2CYP2A6KDR
SCHEMBL17704291 0.78 PDPK1 (0.65) PDPK1LOXL2ADRB2CYP2A6KDR

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-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed