SCHEMBL10696477

SCHEMBL10696477

CCCCN1C(=O)C(C)(C)c2cc3c(cc21)NC(c1cccnc1)N3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 2/20 0.42
RAB9A P51151 2/20 0.42
RECQL P46063 1/20 0.42
MCL1 Q07820 1/20 0.42
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 3/20 0.38
ALDH1A1 P00352 7/20 0.36
GAA P10253 3/20 0.36
HPGD P15428 3/20 0.36
ALOX12 P18054 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL10695491 0.97 MAPT (0.42) KDM4EMAPTMEN1KMT2AMAPK1
SCHEMBL10696318 0.94 KDM4E (0.41) KDM4EMAPTMEN1KMT2AMAPK1
SCHEMBL10700217 0.90 KDM4E (0.41) KDM4EMAPTMEN1KMT2AMAPK1
SCHEMBL10697577 0.88 KDM4E (0.40) KDM4EMAPTMEN1KMT2AMAPK1
SCHEMBL10696397 0.87 ALDH1A1 (0.40) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL10698284 0.87 MEN1 (0.39) KDM4EMAPTMEN1KMT2AMAPK1
SCHEMBL10696420 0.84 ELANE (0.43) KDM4EMAPTMEN1KMT2AMAPK1
SCHEMBL10693698 0.84 KDM4E (0.40) KDM4EALDH1A1HSD17B10
SCHEMBL10691679 0.83 KDM4E (0.45) KDM4EMAPTMEN1KMT2AMAPK1
SCHEMBL10700609 0.80 SCN9A (0.32) KCNA5KCNJ5KCNJ3

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