SCHEMBL10698911

SCHEMBL10698911

COCCN1C(=O)C(C)c2cc3nc(-c4cccnc4)[nH]c3cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
HPGD P15428 4/20 0.47
KDM4E B2RXH2 3/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
STAT1 P42224 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.42
CYP11B1 P15538 1/20 0.42
HSD17B10 Q99714 2/20 0.41
LDHA P00338 1/20 0.41
EPHX2 P34913 1/20 0.41
KIT P10721 1/20 0.40
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
GUSB P08236 1/20 0.39
KDM4C Q9H3R0 1/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 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
SCHEMBL10701672 0.89 MAPT (0.48) ALDH1A1MAPTHPGDKDM4ERAB9A
SCHEMBL10700668 0.89 PDE4A (0.41) ALDH1A1MAPTHPGDKDM4ERAB9A
SCHEMBL10699321 0.88 HPGD (0.51) ALDH1A1MAPTHPGDKDM4ERAB9A
SCHEMBL10695474 0.84 MAPT (0.54) ALDH1A1MAPTHPGDKDM4ERAB9A
SCHEMBL10698622 0.84 SCD (0.40) ALDH1A1HPGDKDM4ESMN1; SMN2HSD17B10
SCHEMBL10700351 0.84 SLC2A1 (0.46) ALDH1A1MAPTHPGDKDM4ERAB9A
SCHEMBL10532402 0.84 MAPT (0.45) ALDH1A1MAPTHPGDKDM4ERAB9A
SCHEMBL10699247 0.82 CBFB (0.47) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL10698273 0.80 MAPT (0.47) ALDH1A1MAPTHPGDKDM4ERAB9A
SCHEMBL10699164 0.79 CYP11B1 (0.47) ALDH1A1MAPTHPGDCYP11B1KIT

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