SCHEMBL9465770

SCHEMBL9465770

c1ccn(-c2ccno2)c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.32
MAPT P10636 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
NOTUM Q6P988 1/20 0.30

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
SCHEMBL3075460 0.66 KDM4E (0.35) MAPTMAPK1
SCHEMBL9464920 0.63 POLB (0.30)
SCHEMBL14125002 0.58 NOTUM (0.56) NOTUM
SCHEMBL5832873 0.57 CYP2A6 (0.67) MAPTCYP3A4MAPK1
SCHEMBL1192475 0.57 NPC1 (0.45) MAPTCYP3A4MAPK1
SCHEMBL12427497 0.56
SCHEMBL11149894 0.56
SCHEMBL1925934 0.56 KCNH2 (0.36) MAPK1
SCHEMBL11735548 0.55
SCHEMBL573723 0.55

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
US-5246914-A Fungicides and plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1993-09-21 US disclosed