SCHEMBL6955987

SCHEMBL6955987

C=C(C)Cn1nc(C(=O)Cl)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
PMP22 Q01453 1/20 0.41
HIF1A Q16665 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTR3A P46098 4/20 0.41
PTGER4 P35408 1/20 0.40
ELANE P08246 1/20 0.40
CFD P00746 9/20 0.40

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
SCHEMBL1605879 0.87 TSHR (0.51) HSD17B10LMNAKDM4EALDH1A1HPGD
SCHEMBL6950019 0.82 CYP1A2 (0.45) HSD17B10KDM4EALDH1A1TSHRCYP1A2
SCHEMBL6954722 0.79 CNR1 (0.50) LMNAALDH1A1KMT2ATSHRCYP1A2
SCHEMBL6952219 0.79 CYP1A2 (0.41) HSD17B10ALDH1A1HPGDTSHRCYP1A2
SCHEMBL6948882 0.78 HTR3A (0.46) ALDH1A1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL6954629 0.78 HTR3A (0.47) LMNAKDM4EALDH1A1HPGDHTT
SCHEMBL6946941 0.78 CYP1A2 (0.42) HSD17B10KDM4EKMT2ASMN1; SMN2TSHR
SCHEMBL3213906 0.78 PTGER4 (0.61) HSD17B10LMNAKDM4EALDH1A1HPGD
SCHEMBL4491938 0.77 CYP2C19 (0.40) HSD17B10LMNAKDM4EALDH1A1HPGD
SCHEMBL8717343 0.77 CYP1A2 (0.41) HSD17B10TSHRCYP1A2CYP3A4CYP2D6

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 7 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-0708105-B1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO (JP) 1998-12-23 EP disclosed
EP-0829474-A1 INDAZOLE DERIVATIVES HAVING MONOCYCLIC AMINO GROUP NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-03-18 EP disclosed
US-5684003-A GASTROINTESTINAL DISORDERS OR ANTIULCER AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-11-04 US disclosed
EP-0708105-A1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-04-24 EP disclosed