SCHEMBL4750652

SCHEMBL4750652

COc1ccc(-c2c(-c3c(F)cccc3F)oc3ncnc(NCCCCCC(=O)O)c23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
RAD52 P43351 3/20 0.60
POLB P06746 2/20 0.60
CHEK1 O14757 3/20 0.58
CDK1 P06493 1/20 0.58
AURKA O14965 5/20 0.54
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
HSD17B10 Q99714 2/20 0.53
USP2 O75604 1/20 0.53
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.53
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.50
TNK2 Q07912 1/20 0.48
MAP2K1 Q02750 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
SCHEMBL4530276 0.95 KMT2A (0.58) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL4527691 0.93 KMT2A (0.61) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL4535672 0.92 KMT2A (0.60) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL4527303 0.90 KMT2A (0.69) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL4535665 0.90 KMT2A (0.71) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL4531234 0.90 KMT2A (0.71) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL4521435 0.89 KMT2A (0.61) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL4536090 0.89 KMT2A (0.70) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL4536084 0.89 KMT2A (0.70) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL4519948 0.89 KMT2A (0.58) KMT2AMEN1RAD52POLBCHEK1

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-2008131858-A2 USE OF ACYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed