SCHEMBL10512619

SCHEMBL10512619

CN(C)CCNc1nc2cc(Cl)ccc2c2nc3ccccc3n12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 1/20 0.48
▸ KDM4E B2RXH2 6/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ CASP1 P29466 2/20 0.44
▸ CASP7 P55210 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSP90AA1 P07900 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ NCF1 P14598 1/20 0.40
▸ NPC1 O15118 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
SCHEMBL10513547 0.91 MAT2A (0.48) MAT2AKDM4EKMT2AALDH1A1MEN1
SCHEMBL10513493 0.87 KDM4E (0.52) KDM4EKMT2AALDH1A1MEN1CASP1
SCHEMBL10511601 0.81 POLB (0.47) KDM4EKMT2AALDH1A1MEN1CASP1
SCHEMBL10510883 0.81 KDM4E (0.51) MAT2AKDM4EKMT2AALDH1A1MEN1
SCHEMBL21208568 0.73 IKBKB (0.47) MAT2AKDM4EKMT2AALDH1A1MEN1
SCHEMBL10512781 0.72 HPGD (0.47) KDM4EKMT2AALDH1A1MEN1CASP1
SCHEMBL10513759 0.72 MAPT (0.51) MAT2AKDM4EKMT2AALDH1A1MEN1
SCHEMBL16863801 0.70 BCL2 (0.55) KDM4EKMT2AALDH1A1MEN1CASP1
SCHEMBL29461553 0.70 BCL2 (0.55) KDM4EKMT2AALDH1A1MEN1CASP1
SCHEMBL14644245 0.67 KDM4E (0.46) KDM4EKMT2AALDH1A1MEN1CASP1

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
EP-0331093-A1 Benzimidazo[1,2-c]quinazolines, their preparation and use KNOLL AG (DE) 1989-09-06 — — EP disclosed
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