SCHEMBL4951298

SCHEMBL4951298

c1ccn(-c2csnn2)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4590974 0.67 BPTF (0.47) MEN1KMT2AALDH1A1
SCHEMBL16720091 0.62 ALDH1A1 (0.42) ALDH1A1
SCHEMBL3459231 0.60
SCHEMBL6050788 0.59 MEN1 (0.30) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL1624105 0.58 KMT2A (0.54) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3148048 0.57 GOT1 (0.37)
SCHEMBL6361094 0.57
SCHEMBL9465174 0.57 POLB (0.38) L3MBTL1
SCHEMBL30337554 0.56 POLB (0.32)
SCHEMBL9466354 0.56

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675886-B1 AMINOMETHYLENE SUBSTITUTED NON-AROMATIC HETEROCYCLES AND USE AS SUBSTANCE P ANTAGONISTS PFIZER (US) 2000-07-05 EP claimed
EP-2303846-B1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI SA (FR) 2015-04-29 EP disclosed
EP-2313374-B1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI SA (FR) 2013-09-18 EP disclosed
EP-2303845-B1 Bi-and polycyclic substituted isoquinoline and isoquinoline derivatives as rho kinase inhibitors SANOFI SA (FR) 2013-09-18 EP disclosed
EP-1939187-A1 Substituted heteroaryl pyridopyrimidone derivatives Sanofi-Aventis (FR) 2008-07-02 EP disclosed
US-5246914-A Fungicides and plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1993-09-21 US disclosed