SCHEMBL19296587

SCHEMBL19296587

CCN(CCO)c1ccc2c(-c3ccccc3S(=O)(=O)O)c3cc/c(=[N+](/CC)CCO)cc-3oc2c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.62
▸ BLM P54132 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ USP2 O75604 1/20 0.62
▸ POLB P06746 1/20 0.62
▸ PPARG P37231 1/20 0.62
▸ RXFP1 Q9HBX9 1/20 0.62
▸ NCOR2 Q9Y618 1/20 0.62
▸ CHRM1 P11229 2/20 0.45
▸ FPR2 P25090 4/20 0.44
▸ AVPR2 P30518 3/20 0.43
▸ TGM2 P21980 1/20 0.42
▸ THRB P10828 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ SLC6A4 P31645 4/20 0.40
▸ APLNR P35414 1/20 0.40
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39

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
SCHEMBL19296594 0.91 MEN1 (0.70) MEN1BLMKMT2AUSP2POLB
SCHEMBL19296591 0.89 MEN1 (0.51) MEN1BLMKMT2AUSP2POLB
SCHEMBL18803473 0.88 MEN1 (0.61) MEN1BLMKMT2AUSP2POLB
SCHEMBL24226789 0.85 MEN1 (0.53) MEN1BLMKMT2AUSP2POLB
Water SCHEMBL3839175 0.84 MEN1 (0.68) MEN1BLMKMT2AUSP2POLB
SCHEMBL19293386 0.84 MEN1 (0.51) MEN1BLMKMT2AUSP2POLB
SCHEMBL5712581 0.84 MEN1 (0.77) MEN1BLMKMT2AUSP2POLB
SCHEMBL19293388 0.83 MEN1 (0.51) MEN1BLMKMT2AUSP2POLB
SCHEMBL11964766 0.83 MEN1 (0.56) MEN1BLMKMT2AUSP2POLB
Water SCHEMBL185914 0.83 MEN1 (0.76) MEN1BLMKMT2AUSP2POLB

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-20170248846-A1 COMPOUND, POLYMER, PHOTOSENSITIVE RESIN COMPOSITION, AND COLOR FILTER SAMSUNG SDI CO., LTD. (KR) 2017-08-31 — — US disclosed
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