SCHEMBL9902182

SCHEMBL9902182

CCCCCCCCCCc1ccc(Nc2ccccc2-c2ccc3c(-c4ccccc4)c4cc(-c5ccccc5Nc5ccc(CCCCCCCCCC)cc5)ccc4c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.41
▸ MAPKAPK2 P49137 2/20 0.39
▸ PLK1 P53350 4/20 0.39
▸ UNG P13051 3/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ SOAT1 P35610 2/20 0.39
▸ PLK3 Q9H4B4 3/20 0.38
▸ CTSV O60911 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ GPR3 P46089 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ RARB P10826 3/20 0.37

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
SCHEMBL9927517 0.84 HTR2A (0.46) HSD11B1PLK1UNGHTR2ASOAT1
SCHEMBL9901011 0.83 UNG (0.40) HSD11B1PLK1UNGHTR2APLK3
SCHEMBL24175223 0.80 HSD11B1 (0.47) HSD11B1PLK1SOAT1
SCHEMBL9901473 0.78 GPR3 (0.40) HSD11B1PLK1UNGHTR2APLK3
SCHEMBL5371426 0.75 HSD11B1 (0.48) HSD11B1HTR2ACTSVCTSLMAPK8
SCHEMBL16678699 0.73 HSD11B1 (0.63) HSD11B1HTR2ACTSVCTSLRARB
SCHEMBL23432180 0.73 PSMB5 (0.51) HSD11B1MAPKAPK2UNG
SCHEMBL13251178 0.73 RARB (0.45) HSD11B1UNGCTSVCTSLGPR3
SCHEMBL3728181 0.72 CTSV (0.49) HSD11B1HTR2ACTSVCTSLRARB
SCHEMBL10491901 0.72 HSD11B1 (0.55) HSD11B1HTR2ACTSVCTSLRARB

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
US-20130320269-A1 PROCESS FOR THE PREPARATION OF SEMICONDUCTOR MATERIALS, COMPOUNDS AND THEIR USE THE UNIVERSITY OF MANCHESTER (GB) 2013-12-05 — — US disclosed
EP-2649073-A2 PROCESS FOR THE PREPARATION OF SEMICONDUCTOR MATERIALS, COMPOUNDS AND THEIR USE The University Of Manchester (GB) 2013-10-16 — — EP disclosed
WO-2012076886-A2 NOVEL PROCESS AND COMPOUNDS THE UNIVERSITY OF MANCHESTER (GB) 2012-06-14 — — WO disclosed
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