SCHEMBL9828989

SCHEMBL9828989

O=C(O)CNc1cnc2ccccc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 3/20 0.61
GAA P10253 2/20 0.61
POLB P06746 1/20 0.61
HSP90AA1 P07900 1/20 0.57
HSP90AB1 P08238 1/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
PDGFRB P09619 1/20 0.53
PDGFRA P16234 1/20 0.53
RHOA P61586 2/20 0.51
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PDE10A Q9Y233 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 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
SCHEMBL1193822 0.78 KDM4C (0.58) KDM4EALDH1A1GAAKMT2ANPC1
SCHEMBL4640092 0.76 NPC1 (0.64) KDM4EALDH1A1GAAPOLBHSP90AA1
SCHEMBL4156930 0.76 PDGFRB (0.64) KDM4EALDH1A1GAAPOLBHSP90AA1
SCHEMBL12199223 0.76 KDM4E (1.00) KDM4EALDH1A1GAAPOLBHSP90AA1
Hydrazine SCHEMBL27657426 0.75 KDM4C (0.55) KDM4EALDH1A1GAAKMT2ANPC1
SCHEMBL9130907 0.75 KDM4E (0.58) KDM4EALDH1A1GAAPOLBHSP90AA1
SCHEMBL7836629 0.74 KDR (0.60) KDM4EALDH1A1GAAPOLBMEN1
SCHEMBL30223599 0.73 KDM4E (0.66) KDM4EALDH1A1GAAPOLBNPC1
SCHEMBL18912907 0.73 KDM4E (0.66) KDM4EALDH1A1GAAPOLBNPC1
SCHEMBL27960258 0.73 CYP2D6 (0.59) KDM4EALDH1A1GAAPOLBHSP90AA1

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
EP-0197294-B1 BETA-LACTAM ANTIBIOTICS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BAYER AG (DE) 1991-04-03 EP disclosed
US-4734407-A ANIMAL GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1988-03-29 US disclosed