SCHEMBL18218127

SCHEMBL18218127

Cc1ccc(N=Nc2ccc3cc(C)ccc3c2O)c(S(=O)(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTRB1 P17538 1/20 0.53
▸ ALDH1A1 P00352 5/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ MPL P40238 2/20 0.51
▸ CTRC Q99895 1/20 0.51
▸ CYP1A2 P05177 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ CYP3A4 P08684 4/20 0.45
▸ MAPT P10636 4/20 0.45
▸ CYP2C9 P11712 3/20 0.45
▸ HPGD P15428 3/20 0.45
▸ ALOX15 P16050 3/20 0.45
▸ HSD17B10 Q99714 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ TSHR P16473 2/20 0.45

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
SCHEMBL18218135 0.91 CTRB1 (0.56) CTRB1ALDH1A1HIF1AMPLCTRC
SCHEMBL18218126 0.89 CTRB1 (0.46) CTRB1ALDH1A1HIF1AMPLCTRC
SCHEMBL18218122 0.82 CYP1A2 (0.58) CTRB1ALDH1A1HIF1AMPLCTRC
SCHEMBL19958031 0.81 SENP2 (0.47) CTRB1ALDH1A1HIF1AMPLCTRC
SCHEMBL15385531 0.80 NPC1 (0.71) CTRB1ALDH1A1HIF1ACTRCCYP1A2
SCHEMBL8086696 0.78 MEN1 (0.56) ALDH1A1HIF1AMPLCTRCCYP1A2
SCHEMBL8086685 0.78 MEN1 (0.56) ALDH1A1HIF1AMPLCTRCCYP1A2
SCHEMBL20306013 0.78 ALDH1A1 (0.58) ALDH1A1HIF1AMPLCTRCCYP1A2
SCHEMBL8651544 0.78 ALDH1A1 (0.56) CTRB1ALDH1A1HIF1AMPLCTRC
SCHEMBL19958032 0.77 SENP2 (0.46) CTRB1ALDH1A1HIF1AMPLCTRC

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-20160326384-A1 HIGH FIXATION INK COMPOSITION FOR DIGITAL TEXTILE PRINTING EVERLIGHT CHEMICAL INDUSTRIAL CORPORATION (TW) 2016-11-10 — — US disclosed
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