SCHEMBL7358914

SCHEMBL7358914

C=CC(=O)Nc1cc(C)c2c(c1)ncn2CCCCN1CC=C(c2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
MAPT P10636 2/20 0.40
HTR1A P08908 4/20 0.40
SIGMAR1 Q99720 2/20 0.39
PARP1 P09874 4/20 0.38
LMNA P02545 2/20 0.38
ALOX15 P16050 1/20 0.37
APEX1 P27695 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL7358168 0.91 KDM4E (0.40) KDM4EMAPTHTR1ASIGMAR1PARP1
SCHEMBL7358164 0.91 KDM4E (0.40) KDM4EMAPTHTR1ASIGMAR1PARP1
SCHEMBL7354812 0.90 KDM4E (0.42) KDM4EMAPTHTR1ASIGMAR1PARP1
SCHEMBL7361063 0.90 BCHE (0.39) KDM4EMAPTHTR1ASIGMAR1DRD3
SCHEMBL7361065 0.90 BCHE (0.39) KDM4EMAPTHTR1ASIGMAR1DRD3
Hydrochloric Acid SCHEMBL7354409 0.89 KDM4E (0.42) KDM4EMAPTHTR1ASIGMAR1PARP1
SCHEMBL7354626 0.88 KDM4E (0.43) KDM4EMAPTHTR1ASIGMAR1PARP1
Hydrochloric Acid SCHEMBL7355986 0.88 SIGMAR1 (0.44) KDM4EMAPTHTR1ASIGMAR1ALOX15
SCHEMBL7361901 0.88 KDM4E (0.41) KDM4EMAPTHTR1ASIGMAR1PARP1
SCHEMBL7355443 0.88 KDM4E (0.42) KDM4EMAPTHTR1ASIGMAR1PARP1

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
WO-1995003298-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS DOPAMINE RECEPTOR ANTAGONIST, 5-HT RECEPTOR AGONIST OR α1 RECEPTOR ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-02 WO disclosed