SCHEMBL11859660

SCHEMBL11859660

c1ccc(-c2nnc3cocc3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ MAPT P10636 5/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP1A2 P05177 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
SCHEMBL2851617 0.79 NPC1 (0.59) RAB9ANPC1MAPK1SMN1; SMN2MAPT
SCHEMBL29887199 0.79 NPC1 (0.59) RAB9ANPC1MAPK1SMN1; SMN2MAPT
SCHEMBL11777157 0.72 LMNA (0.32) LMNA
SCHEMBL3652642 0.69 NPC1 (1.00) RAB9ANPC1MAPK1SMN1; SMN2MAPT
SCHEMBL12518213 0.68 MAPT (0.65) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL20733792 0.67 RAB9A (0.62) RAB9ANPC1MAPK1SMN1; SMN2MAPT
SCHEMBL17104884 0.66 RAB9A (0.60) RAB9ANPC1MAPK1SMN1; SMN2MAPT
SCHEMBL3445210 0.66 SMN1; SMN2 (0.81) RAB9ANPC1MAPK1SMN1; SMN2MAPT
SCHEMBL23143288 0.65 SMN1; SMN2 (0.56) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL24729180 0.64 RAB9A (0.45) RAB9ANPC1MAPK1SMN1; SMN2MAPT

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-3962240-A PROCESS FOR THE PREPARATION OF FURO(3,4-E)-AS-TRIAZINES SANDOZ, INC. (US) 1976-06-08 — — US disclosed
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