SCHEMBL10691679

SCHEMBL10691679

CN1C(=O)C(C)(C)c2cc3c(cc21)NC(c1cccnc1)N3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 2/20 0.45
RECQL P46063 1/20 0.45
MCL1 Q07820 1/20 0.45
TSHR P16473 3/20 0.40
CREBBP Q92793 2/20 0.39
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP3A4 P08684 2/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL10700217 0.86 KDM4E (0.41) KDM4EMEN1KMT2ARAB9AMAPT
SCHEMBL10696318 0.85 KDM4E (0.41) KDM4EMEN1KMT2ARAB9AMAPT
SCHEMBL10695498 0.85 ALDH1A1 (0.43) KDM4EMEN1KMT2AMAPTCREBBP
SCHEMBL10697577 0.84 KDM4E (0.40) KDM4EMEN1KMT2ARAB9AMAPT
SCHEMBL10698820 0.84 KDM4E (0.42) KDM4EMEN1KMT2ARAB9AMAPK1
SCHEMBL10696477 0.83 KDM4E (0.42) KDM4EMEN1KMT2ARAB9AMAPT
SCHEMBL10695491 0.82 MAPT (0.42) KDM4EMEN1KMT2ARAB9AMAPT
SCHEMBL10696420 0.82 ELANE (0.43) KDM4EMEN1KMT2ARAB9AMAPT
SCHEMBL10698284 0.82 MEN1 (0.39) KDM4EMEN1KMT2ARAB9AMAPT
SCHEMBL10695292 0.81 PDE4A (0.38) MEN1KMT2ACREBBPBRD4PDE4A

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-0268178-A1 Pyrrolo-benzimidazoles, medicaments containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-05-25 EP disclosed