SCHEMBL8986852

SCHEMBL8986852

O=C(Nc1ccc(F)cc1)Nn1cnc2ccccc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.58
▸ RAB9A P51151 5/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ NPC1 O15118 5/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ POLB P06746 2/20 0.53
▸ MAPT P10636 3/20 0.52
▸ HTT P42858 2/20 0.52
▸ LMNA P02545 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ TP53 P04637 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46

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
SCHEMBL8986849 0.89 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ACYP2D6NPC1KMT2A
SCHEMBL8986883 0.88 KMT2A (0.70) SMN1; SMN2RAB9ACYP2D6NPC1KMT2A
SCHEMBL8986858 0.88 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ACYP2D6NPC1KMT2A
SCHEMBL8986845 0.88 SMN1; SMN2 (0.59) SMN1; SMN2RAB9ACYP2D6NPC1KMT2A
SCHEMBL8986865 0.87 KMT2A (0.53) SMN1; SMN2RAB9ACYP2D6NPC1KMT2A
SCHEMBL9323081 0.85 NAMPT (0.49) SMN1; SMN2RAB9ACYP2D6NPC1KMT2A
SCHEMBL8986838 0.84 NPC1 (0.62) SMN1; SMN2RAB9ANPC1KMT2AALDH1A1
SCHEMBL9323136 0.84 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ACYP2D6NPC1KMT2A
SCHEMBL8986860 0.83 L3MBTL1 (0.72) SMN1; SMN2RAB9ANPC1KMT2AALDH1A1
SCHEMBL9321855 0.82 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ACYP2D6NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0572782-B1 1-Aryl-3-(3,4-dihydro-4-oxo-3-quinazolinyl)-urea fungicidal agents AMERICAN CYANAMID CO (US) 1996-06-26 — — EP disclosed
US-5354755-A Agricultural uses AMERICAN CYANAMID COMPANY (US) 1994-10-11 — — US disclosed
US-5276038-A 1-aryl-3-(3,4-dihydro-4-oxo-3-quinazolinyl)urea fungicidal agents AMERICAN CYANAMID COMPANY (US) 1994-01-04 — — US disclosed
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