SCHEMBL6955313

SCHEMBL6955313

CCCn1nc(C(=O)NCCN2CCN(C)CC2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
CNR1 P21554 5/20 0.48
CNR2 P34972 4/20 0.48
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
USP2 O75604 1/20 0.46
MAPK1 P28482 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR3A P46098 1/20 0.45

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
SCHEMBL6955741 0.95 MEN1 (0.53) SMN1; SMN2HSD17B10MEN1KMT2AALDH1A1
SCHEMBL6949382 0.93 CNR1 (0.57) SMN1; SMN2HSD17B10MEN1KMT2AALDH1A1
SCHEMBL6948551 0.92 CNR1 (0.53) SMN1; SMN2HSD17B10MEN1KMT2AALDH1A1
SCHEMBL6950281 0.91 CNR1 (0.56) SMN1; SMN2HSD17B10MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL7393720 0.91 KDM4E (0.53) SMN1; SMN2HSD17B10MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL7394157 0.90 KDM4E (0.55) SMN1; SMN2HSD17B10MEN1KMT2AALDH1A1
SCHEMBL6946861 0.89 KDM4E (0.54) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL6950902 0.89 HSD17B10 (0.51) SMN1; SMN2HSD17B10MEN1KMT2AALDH1A1
SCHEMBL6953404 0.89 MEN1 (0.47) SMN1; SMN2HSD17B10MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL7394647 0.89 KDM4E (0.53) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0829474-B1 INDAZOLE DERIVATIVES HAVING MONOCYCLIC AMINO GROUP NISSHIN SEIFUN GROUP INC (JP) 2003-04-09 EP disclosed
US-6096746-A Indazole compound containing a monocyclic amine structure NISSHIN FLOUR MILLING CO., LTD. (JP) 2000-08-01 US disclosed
US-5945434-A TREATMENT OF GASTROINTESTINAL DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1999-08-31 US disclosed
EP-0829474-A1 INDAZOLE DERIVATIVES HAVING MONOCYCLIC AMINO GROUP NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-03-18 EP disclosed