SCHEMBL5667704

SCHEMBL5667704

c1ccc(-n2ccnc2-c2ncc[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.50
MTOR P42345 1/20 0.50
ADK P55263 1/20 0.50
CYP3A4 P08684 5/20 0.39
CYP1A2 P05177 4/20 0.39
CYP2D6 P10635 4/20 0.39
CYP2C9 P11712 4/20 0.39
CYP2C19 P33261 4/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TAAR1 Q96RJ0 2/20 0.39
KCNK13 Q9HB14 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
FDPS P14324 1/20 0.37

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
SCHEMBL28364116 0.82 ALDH1A1 (0.57) NISCHMTORADKNPC1RAB9A
SCHEMBL27360696 0.77 CYP3A4 (0.39) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
Benzene SCHEMBL27839441 0.74 MAPK9 (0.54) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL528245 0.74 MAPK9 (0.54) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9369328 0.74 HSD17B10 (0.55) NISCHMTORADKCYP3A4CYP1A2
SCHEMBL29040464 0.73 MAPK9 (0.53) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL27683877 0.73 MAPK9 (0.53) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL21141810 0.70 BRD4 (0.45) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1445518 0.70 SMN1; SMN2 (0.47) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1345960 0.70 SCN4A (0.47) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11342509-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2022-05-24 US disclosed
US-20190252619-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2019-08-15 US disclosed
EP-1359910-A4 METHOD FOR TREATING GLAUCOMA II B ALTEON INC (US) 2006-07-05 EP disclosed
EP-1359910-A1 METHOD FOR TREATING GLAUCOMA II B Alteon, Inc. (US) 2003-11-12 EP disclosed
WO-2002053156-A1 METHOD FOR TREATING GLAUCOMA II B ALTEON, INC. (US) 2002-07-11 WO disclosed