SCHEMBL7701135

SCHEMBL7701135

O=C(NCc1ccc2c(c1)OCO2)Nc1ccc(-c2n[nH]c3c2Cc2ccccc2-3)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.53
MEN1 O00255 7/20 0.53
RAB9A P51151 3/20 0.53
KDM4E B2RXH2 2/20 0.53
HIF1A Q16665 1/20 0.52
PPARG P37231 1/20 0.51
NCOA2 Q15596 1/20 0.51
NCOA1 Q15788 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
GSK3B P49841 1/20 0.50
NPC1 O15118 1/20 0.48
CHEK1 O14757 2/20 0.48
PTPN7 P35236 1/20 0.47

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
SCHEMBL7698769 0.86 KDR (0.58) CHEK1
SCHEMBL7701855 0.83 NAMPT (0.64) NPC1CHEK1
SCHEMBL7701559 0.81 NAMPT (0.52) KMT2AMEN1CHEK1
SCHEMBL7702362 0.80 KDR (0.52) KMT2AMEN1RAB9AKDM4ECHEK1
SCHEMBL7701122 0.79 CHEK1 (0.48) CHEK1
SCHEMBL7701963 0.79 CHEK1 (0.57) CHEK1
SCHEMBL7705692 0.79 CHEK1 (0.62) KMT2ARAB9ANPC1CHEK1
SCHEMBL11863990 0.78 KDR (0.63) KMT2AMEN1KDM4EHIF1ACHEK1
SCHEMBL7831082 0.78 KDR (0.48) RAB9AHIF1ACHEK1
SCHEMBL7701166 0.76 CHEK1 (0.53) CHEK1

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-6462036-B1 INHIBITING SIGNAL TRANSDUCTION BY MODULATING ACTIVITY OF RECEPTOR AND NONRECEPTOR TYROSINE AND SERINE/THREONINE KINASES TO REGULATE AND MODULATE ABNORMAL OR INAPPROPRIATE CELL PROLIFERATION, DIFFERENTIATION, OR METABOLISM BASF AKTIENGESELLSCHAFT (DE) 2002-10-08 US disclosed