SCHEMBL7360192

SCHEMBL7360192

Cc1cc(NC(=O)CS)cc2ncn(CCCCN3CC=C(c4ccccc4)CC3)c12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
MAPT P10636 3/20 0.42
HTR1A P08908 5/20 0.40
LMNA P02545 3/20 0.40
PARP1 P09874 7/20 0.40
SIGMAR1 Q99720 2/20 0.40
ALOX15 P16050 1/20 0.40
APEX1 P27695 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7354626 0.92 KDM4E (0.43) KDM4EMAPTHTR1ALMNAPARP1
SCHEMBL7355443 0.92 KDM4E (0.42) KDM4EMAPTHTR1ALMNAPARP1
SCHEMBL7353274 0.91 KDM4E (0.42) KDM4EMAPTHTR1ALMNAPARP1
SCHEMBL7355373 0.91 KDM4E (0.42) KDM4EMAPTHTR1ALMNAPARP1
SCHEMBL7354812 0.91 KDM4E (0.42) KDM4EMAPTHTR1ALMNAPARP1
SCHEMBL7360674 0.90 CYP2C19 (0.42) KDM4EMAPTHTR1ALMNAPARP1
Hydrochloric Acid SCHEMBL7354409 0.90 KDM4E (0.42) KDM4EMAPTHTR1ALMNAPARP1
SCHEMBL7351996 0.90 ALDH1A1 (0.42) KDM4EMAPTPARP1HSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL7355986 0.88 SIGMAR1 (0.44) KDM4EMAPTHTR1ASIGMAR1ALOX15
SCHEMBL7361901 0.88 KDM4E (0.41) KDM4EMAPTHTR1ALMNAPARP1

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