SCHEMBL3875736

SCHEMBL3875736

CCC(O)(O)c1cc(N)ccc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 3/20 0.36
▸ TSHR P16473 3/20 0.36
▸ GAA P10253 3/20 0.36
▸ GLA P06280 1/20 0.36
▸ AR P10275 2/20 0.36
▸ ESR1 P03372 2/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ CASP1 P29466 4/20 0.35
▸ PRKCI P41743 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ USP2 O75604 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ THRB P10828 2/20 0.34
▸ RECQL P46063 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ MCL1 Q07820 1/20 0.34

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
SCHEMBL5147469 0.82 SMN1; SMN2 (0.58) SMN1; SMN2TSHRARESR1ESR2
SCHEMBL6678297 0.82 SMN1; SMN2 (0.37) SMN1; SMN2POLBTSHRGAAGLA
SCHEMBL7761954 0.78 ALDH1A1 (0.55) POLBTSHRGAAESR2CASP1
SCHEMBL28201831 0.77 PGR (0.51) SMN1; SMN2POLBTSHRGAAGLA
SCHEMBL27224485 0.76 ALDH1A1 (0.37) SMN1; SMN2POLBTSHRGAAGLA
SCHEMBL2443511 0.75 ALDH1A1 (0.38) SMN1; SMN2TSHRGAACASP1MAPT
SCHEMBL17312034 0.73 SMN1; SMN2 (0.39) SMN1; SMN2POLBTSHRGAAGLA
SCHEMBL9357030 0.72 LMNA (0.49) SMN1; SMN2TSHRGAAMAPTMEN1
SCHEMBL9503147 0.72 TSHR (0.43) SMN1; SMN2POLBTSHRGAAGLA
SCHEMBL10002095 0.71 SMN1; SMN2 (0.49) SMN1; SMN2POLBTSHRGAAGLA

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-7601180-B2 Use for the dyeing with lightening effect of keratin substances of a composition comprising a fluorescent cyanine dye L'OREAL S.A. (FR) 2009-10-13 — — US disclosed
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