SCHEMBL14420824

SCHEMBL14420824

COC(=O)c1cccc(CNc2ccccc2N)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ CYP4F2 P78329 2/20 0.54
▸ CYP4A11 Q02928 2/20 0.54
▸ SLC7A5 Q01650 1/20 0.51
▸ SENP1 Q9P0U3 1/20 0.51
▸ PPM1D O15297 2/20 0.50
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ HDAC1 Q13547 4/20 0.48
▸ LNPEP Q9UIQ6 1/20 0.47
▸ HDAC4 P56524 1/20 0.46
▸ MEF2D Q14814 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46

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
SCHEMBL15761746 0.85 HIF1A (0.60) LOXL2HIF1ACYP4F2CYP4A11SLC7A5
SCHEMBL31237125 0.85 MRGPRX4 (0.57) LOXL2HIF1ACYP4F2CYP4A11SLC7A5
SCHEMBL1180032 0.85 LOXL2 (0.53) LOXL2HIF1ACYP4F2CYP4A11SLC7A5
SCHEMBL14420823 0.85 MRGPRX4 (0.59) HIF1APPM1DHDAC1HDAC4MEF2D
SCHEMBL15761754 0.84 HIF1A (0.58) LOXL2HIF1ACYP4F2CYP4A11SLC7A5
SCHEMBL15755934 0.84 HIF1A (0.58) LOXL2HIF1ACYP4F2CYP4A11SLC7A5
SCHEMBL8005946 0.83 HIF1A (0.53) LOXL2HIF1ACYP4F2CYP4A11SLC7A5
SCHEMBL23286785 0.82 CA1 (0.61) LOXL2HIF1ACA1CA2HDAC1
SCHEMBL15687652 0.82 CA1 (0.61) LOXL2HIF1ASLC7A5PPM1DCA1
SCHEMBL26436295 0.82 LOXL2 (0.60) LOXL2HIF1ACYP4F2CYP4A11SLC7A5

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
WO-2007108936-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-09-27 — — WO disclosed
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