SCHEMBL7361126

SCHEMBL7361126

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
KDM4E B2RXH2 5/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR1A P08908 5/20 0.40
SIGMAR1 Q99720 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALOX15 P16050 1/20 0.40
APEX1 P27695 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PARP1 P09874 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
DRD2 P14416 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
SCHEMBL7354812 0.91 KDM4E (0.42) KMT2AKDM4EMAPTLMNAHTR1A
Hydrochloric Acid SCHEMBL7354409 0.90 KDM4E (0.42) KMT2AKDM4EMAPTLMNAHTR1A
SCHEMBL7354626 0.89 KDM4E (0.43) KMT2AMEN1KDM4EMAPTLMNA
Hydrochloric Acid SCHEMBL7355986 0.88 SIGMAR1 (0.44) KMT2AKDM4EMAPTHTR1ASIGMAR1
SCHEMBL7355443 0.88 KDM4E (0.42) KMT2AKDM4EMAPTLMNASMN1; SMN2
SCHEMBL7361901 0.88 KDM4E (0.41) KMT2AKDM4EMAPTLMNAHTR1A
SCHEMBL7360192 0.88 KDM4E (0.42) KMT2AKDM4EMAPTLMNASMN1; SMN2
SCHEMBL7355373 0.88 KDM4E (0.42) KMT2AKDM4EMAPTLMNASMN1; SMN2
SCHEMBL7353274 0.88 KDM4E (0.42) KMT2AKDM4EMAPTLMNAPOLB
SCHEMBL7358914 0.88 KDM4E (0.40) KMT2AKDM4EMAPTLMNAHTR1A

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