SCHEMBL14650645

SCHEMBL14650645

CN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1ccc2cc(S(=O)(=O)CCO)ccc2c1)C5=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ CA2 P00918 4/20 0.40
▸ CA12 O43570 3/20 0.40
▸ CA1 P00915 3/20 0.40
▸ CA9 Q16790 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ TAF1 P21675 1/20 0.38
▸ TERT O14746 3/20 0.37
▸ POLB P06746 3/20 0.36
▸ APAF1 O14727 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 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
SCHEMBL14650675 0.83 STAT3 (0.37) ALDH1A1CA2CA12CA1CA9
SCHEMBL14650710 0.79 ALDH1A1 (0.33) ALDH1A1CA2CA12CA1CA9
SCHEMBL14650606 0.77 ALDH1A1 (0.30) ALDH1A1HPGDLMNACYP1A2CYP2C9
SCHEMBL14650657 0.74 KDM4E (0.43) ALDH1A1CA2CA12CA1CA9
SCHEMBL14650640 0.72 CA1 (0.41) ALDH1A1CA2CA12CA1CA9
SCHEMBL26220444 0.70 CA1 (0.63) ALDH1A1CA2CA12CA1CA9
SCHEMBL14650658 0.69 STAT3 (0.38) ALDH1A1CA2CA12CA1CA9
SCHEMBL26220439 0.69 CA1 (0.61) ALDH1A1CA2CA12CA1CA9
SCHEMBL26763060 0.69 CA1 (0.61) CA2CA12CA1CA9LMNA
SCHEMBL15044688 0.68 ALDH1A1 (0.49) ALDH1A1CA2HPGDCYP1A2CYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051468-B2 Dyes for polymer coloration, their preparation and their use CLARIANT INTERNATIONAL LTD (CH) 2015-06-09 — — US disclosed
US-9051468-B2 Dyes for polymer coloration, their preparation and their use CLARIANT INTERNATIONAL LTD (CH) 2015-06-09 — — US disclosed
US-20130019415-A1 DYES FOR POLYMER COLORATION, THEIR PREPARATION AND THEIR USE DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2013-01-24 — — US disclosed
US-20130019415-A1 DYES FOR POLYMER COLORATION, THEIR PREPARATION AND THEIR USE DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2013-01-24 — — US disclosed
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