SCHEMBL27363422

SCHEMBL27363422

Cc1c(NC(=O)NCCc2ccccc2)ccc2c1COC(NCCc1ccccc1)=N2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MMP3 P08254 1/20 0.41
ROCK2 O75116 2/20 0.40
TRPV1 Q8NER1 2/20 0.40
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
EPHX1 P07099 1/20 0.39
CNR1 P21554 1/20 0.39
POLB P06746 1/20 0.39
ROCK1 Q13464 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MLYCD O95822 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
SCHEMBL27357166 0.85 ATM (0.44) KMT2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL27355463 0.85 CTRB1 (0.38) KMT2ANPC1MEN1MAPTPOLB
SCHEMBL27383640 0.84 ALDH1A1 (0.41) KMT2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL27381422 0.82 LTA4H (0.39) KMT2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL27362428 0.79 PKM (0.35) KMT2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL27355461 0.78 F2 (0.38) KMT2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL27364669 0.77 NPC1 (0.34) KMT2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL27362385 0.75 TAAR1 (0.37) RAB9ANPC1SMN1; SMN2MMP3
SCHEMBL27357170 0.69 HDAC6 (0.38) KMT2ARAB9ANPC1ROCK2MEN1
SCHEMBL6506565 0.68 ELANE (0.53) KMT2ATRPV1EPHX1

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
CN-1070480-C 2-amino-benzoxanones for the treatment of viral infections SEARLE & CO (US) 2001-09-05 CN claimed
CN-1070480-C 2-amino-benzoxanones for the treatment of viral infections SEARLE & CO (US) 2001-09-05 CN disclosed