SCHEMBL9310330

SCHEMBL9310330

O=C(OC1=NCCN1)c1cnc2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PTK2 Q05397 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
POLB P06746 1/20 0.38

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
SCHEMBL8822497 0.83 KDM4E (0.48) CYP1A2ALDH1A1ALOX15SMN1; SMN2RAB9A
SCHEMBL10472882 0.79 KDM4E (0.47) ALDH1A1SMN1; SMN2MEN1KMT2ANISCH
SCHEMBL9208032 0.74 CYP3A4 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2ANISCH
SCHEMBL8953381 0.74 XDH (0.43) CYP1A2ALDH1A1SMN1; SMN2RAB9AMEN1
SCHEMBL9491858 0.73 ALDH1A1 (0.55) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
SCHEMBL9491204 0.73 XDH (0.43) CYP1A2ALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL3518633 0.72 ALDH1A1 (0.65) ALDH1A1HPGDALOX15HSD17B10PTK2
SCHEMBL28062794 0.70 ALDH1A1 (0.62) ALDH1A1HPGDALOX15HSD17B10PTK2
SCHEMBL4277314 0.70 ALDH1A1 (0.62) ALDH1A1HPGDALOX15HSD17B10PTK2
SCHEMBL9493033 0.70 BCL2L1 (0.47) ALDH1A1HPGD

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-5283335-A Controlling (mono or di)cotyledenous plants AMERICAN CYANAMID COMPANY (US) 1994-02-01 US disclosed