SCHEMBL9465324

SCHEMBL9465324

c1ccc2sc(-n3cccc3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.53
NPC1 O15118 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KAT2A Q92830 1/20 0.50
KAT2B Q92831 1/20 0.50
MAPK1 P28482 1/20 0.50
POLB P06746 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 3/20 0.47
ALDH1A1 P00352 2/20 0.47
ALOX15 P16050 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
ADRA2A P08913 1/20 0.47
FBP1 P09467 1/20 0.47
ADORA3 P0DMS8 1/20 0.47

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
SCHEMBL11375551 0.82 RAB9A (0.51) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL10489897 0.74 RAB9A (0.65) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL5324725 0.74 ALDH1A1 (0.50) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL8526236 0.73 RAB9A (0.73) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL11308502 0.73 RAB9A (0.47) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL23360634 0.73 NPC1 (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL21480878 0.72 NPC1 (0.52) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1713549 0.72 RAB9A (0.71) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7217567 0.72 RAB9A (0.71) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL16484373 0.72 KAT2A (0.54) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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