SCHEMBL18906041

SCHEMBL18906041

O=C(O)c1ccc(CNc2ccccn2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 1/20 0.72
▸ FABP1 P07148 1/20 0.70
▸ FABP6 P51161 1/20 0.70
▸ KDM4E B2RXH2 1/20 0.62
▸ NPC1 O15118 4/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ GAA P10253 1/20 0.57
▸ TP53 P04637 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ POLB P06746 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ CTDSP1 Q9GZU7 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ NOS1 P29475 1/20 0.55
▸ KDM5A P29375 1/20 0.49
▸ KDM4C Q9H3R0 1/20 0.49
▸ KDM5B Q9UGL1 1/20 0.49
▸ HDAC1 Q13547 1/20 0.48

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
SCHEMBL29351380 0.85 CXCR4 (1.00) CXCR4FABP1FABP6KDM4ENPC1
SCHEMBL589266 0.85 CXCR4 (1.00) CXCR4FABP1FABP6KDM4ENPC1
SCHEMBL15761765 0.84 CXCR4 (0.66) CXCR4FABP1FABP6KDM4ENPC1
SCHEMBL16397614 0.83 KMT2A (0.60) NPC1RAB9APOLBALDH1A1HPGD
SCHEMBL29664808 0.83 FABP1 (1.00) CXCR4FABP1FABP6KDM4ENPC1
SCHEMBL2230559 0.83 FABP1 (1.00) CXCR4FABP1FABP6KDM4ENPC1
SCHEMBL16607505 0.82 ALDH1A1 (0.53) CXCR4FABP1FABP6NPC1RAB9A
SCHEMBL27585010 0.81 FABP1 (0.96) CXCR4FABP1FABP6KDM4ENPC1
Hydrochloric Acid SCHEMBL4696844 0.81 FABP1 (0.96) CXCR4FABP1FABP6KDM4ENPC1
Fluoride SCHEMBL28270594 0.81 FABP1 (0.96) CXCR4FABP1FABP6KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 — — US disclosed
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 — — US disclosed
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