SCHEMBL7845276

SCHEMBL7845276

COc1cc(C(=O)Nc2cc(CCC(C)O)nc3ccnn23)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.48
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPK10 P53779 1/20 0.43
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 3/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
PRNP P04156 1/20 0.40

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
SCHEMBL3421020 0.87 BRD4 (0.48) BRD4MEN1KMT2AHPGDKDM4E
SCHEMBL7836822 0.75 CDK7 (0.44) BRD4MEN1KMT2A
SCHEMBL7847402 0.72 MEN1 (0.49) BRD4MEN1KMT2AHPGDKDM4E
SCHEMBL7487239 0.72 MAPT (0.46) BRD4MEN1KMT2AHPGDKDM4E
SCHEMBL8391492 0.71 SMN1; SMN2 (0.46) BRD4MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL7835034 0.70 PRKAB2 (0.40)
SCHEMBL7835484 0.69 CDK2 (0.40)
SCHEMBL7832150 0.69 KDM4E (0.35) MEN1KMT2AKDM4ESMN1; SMN2POLB
SCHEMBL7847494 0.68 CCNT1 (0.40) BRD4KDM4EMAPK10GAASMN1; SMN2
SCHEMBL7551103 0.68 MAPT (0.46) BRD4MEN1KMT2AHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714898-B1 PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2001-11-14 EP disclosed
US-5707997-A ANALGESICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-01-13 US disclosed
EP-0714898-A1 PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-06-05 EP disclosed