SCHEMBL9323136

SCHEMBL9323136

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.47
▸ RAB9A P51151 6/20 0.47
▸ NPC1 O15118 6/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 3/20 0.46
▸ CYP2D6 P10635 1/20 0.45
▸ POLB P06746 2/20 0.45
▸ TRPV1 Q8NER1 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ TP53 P04637 1/20 0.42

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
SCHEMBL8986865 0.85 KMT2A (0.53) SMN1; SMN2RAB9ANPC1KMT2AALDH1A1
SCHEMBL8986852 0.84 SMN1; SMN2 (0.58) SMN1; SMN2RAB9ANPC1KMT2AALDH1A1
SCHEMBL9323081 0.83 NAMPT (0.49) SMN1; SMN2RAB9ANPC1KMT2AALDH1A1
SCHEMBL8986849 0.83 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1KMT2AALDH1A1
SCHEMBL8986858 0.82 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPC1KMT2AALDH1A1
SCHEMBL8986883 0.82 KMT2A (0.70) SMN1; SMN2RAB9ANPC1KMT2AALDH1A1
SCHEMBL8986845 0.82 SMN1; SMN2 (0.59) SMN1; SMN2RAB9ANPC1KMT2AALDH1A1
SCHEMBL9321855 0.81 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1KMT2AALDH1A1
SCHEMBL8986838 0.79 NPC1 (0.62) SMN1; SMN2RAB9ANPC1KMT2AALDH1A1
SCHEMBL8986860 0.78 L3MBTL1 (0.72) SMN1; SMN2RAB9ANPC1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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