SCHEMBL9853656

SCHEMBL9853656

CCCCc1nc2ccncc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.49
POLB P06746 1/20 0.49
PDE5A O76074 1/20 0.48
KMT2A Q03164 1/20 0.47
KRAS P01116 1/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GSK3B P49841 1/20 0.47
PARP1 P09874 1/20 0.47
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL8566027 0.87 KDM4C (0.52) KDM4CPOLBKMT2AGSK3BPARP1
SCHEMBL12092412 0.83 DDAH1 (0.59) KDM4CPDE5AKRASKDM4ESMN1; SMN2
SCHEMBL10650966 0.83 POLB (0.51) KDM4CPOLBKMT2AKDM4EGSK3B
SCHEMBL9705784 0.79 KDM4C (0.51) KDM4CGSK3BPARP1
SCHEMBL379648 0.78 POLB (0.79) POLBSMN1; SMN2PARP1
Hydrochloric Acid SCHEMBL28131464 0.77 POLB (0.77) POLBPARP1PKM
Benzene SCHEMBL28277475 0.77 POLB (0.77) POLBPARP1
SCHEMBL9851482 0.77 KDM4C (0.63) KDM4CPOLBKMT2AKDM4E
Fluoride SCHEMBL28138824 0.77 POLB (0.77) POLBSMN1; SMN2PARP1
SCHEMBL588512 0.76 KRAS (0.51) PDE5AKRASKDM4ESMN1; SMN2PKM

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-0415886-A2 Aza compounds CIBA-GEIGY AG (CH) 1991-03-06 EP disclosed