SCHEMBL19235144

SCHEMBL19235144

Cc1cnc(-c2cc(-c3ccccc3)ccc2C(C)(C)C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ FLT3 P36888 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ ALOX5AP P20292 1/20 0.38
▸ TRPA1 O75762 1/20 0.35
▸ GRM5 P41594 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ PSMB5 P28074 1/20 0.33
▸ USP7 Q93009 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33

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
SCHEMBL14654498 0.83 LDHA (0.44) LDHANPC1RAB9AFLT3SMN1; SMN2
SCHEMBL23879663 0.80 LDHA (0.47) LDHANPC1RAB9AFLT3SMN1; SMN2
SCHEMBL19454849 0.78 LDHA (0.59) LDHANPC1RAB9AFLT3SMN1; SMN2
SCHEMBL26627059 0.76 CYP11B2 (0.44) LDHANPC1RAB9AFLT3SMN1; SMN2
SCHEMBL16856504 0.76 LDHA (0.38) LDHANPC1RAB9AFLT3SMN1; SMN2
SCHEMBL13834213 0.75 LDHA (0.51) LDHANPC1RAB9AFLT3SMN1; SMN2
SCHEMBL19011695 0.74 GRM5 (0.39) RAB9ASMN1; SMN2GRM5MAPTKDM4E
SCHEMBL19454850 0.74 LDHA (0.47) LDHANPC1RAB9AFLT3SMN1; SMN2
SCHEMBL2481915 0.74 LDHA (0.62) LDHANPC1RAB9AFLT3SMN1; SMN2
SCHEMBL29507311 0.74 LDHA (0.62) LDHANPC1RAB9AFLT3SMN1; SMN2

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-9732099-B1 Organic electroluminescent compounds and organic electroluminescent devices comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-08-15 — — US disclosed
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