SCHEMBL9840549

SCHEMBL9840549

Cc1c(Cc2ccccc2)ccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
CALM1 P0DP23 1/20 0.38
CTRC Q99895 3/20 0.38
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BCL2 P10415 1/20 0.37
BCL2L1 Q07817 1/20 0.37
CTSG P08311 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CNR2 P34972 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36

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
SCHEMBL11212391 0.85 PDCD1 (0.47) ELANEPDCD1CD274CALM1CTRC
SCHEMBL8098213 0.78 CALM1 (0.55) CALM1CTRCBCL2BCL2L1ALOX5
SCHEMBL9181341 0.78 CD274 (0.67) PDCD1CD274NPC1HPGDRAB9A
SCHEMBL7863116 0.77 PTPN1 (0.50)
SCHEMBL10905320 0.76 ELANE (0.53) ELANEBCL2BCL2L1CTSGALOX5
SCHEMBL10484543 0.76 PDCD1 (0.47) PDCD1CD274NPC1HPGDBCL2L1
SCHEMBL2488776 0.75 CD274 (0.39) PDCD1CD274SMN1; SMN2
SCHEMBL27773385 0.73 ELANE (0.37) ELANEBCL2BCL2L1CTSGCYP11B1
SCHEMBL11207724 0.73 PTGS1 (0.42) PDCD1CD274CALM1BCL2BCL2L1
SCHEMBL4473038 0.72 TDP2 (0.46) PDCD1CD274ALOX5PTGS1PTGS2

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
US-5043313-A Mixture of leuco dye and diphenyl polyhydroxy sulfone compound RICOH COMPANY, LTD. (JP) 1991-08-27 US disclosed