SCHEMBL3974908

SCHEMBL3974908

[CH2]N1c2ccccc2Oc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 13/20 0.48
ALOX5 P09917 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
P2RX1 P51575 2/20 0.38
P2RX3 P56373 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 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
SCHEMBL19175897 0.74 P2RX4 (0.48) P2RX4ALOX5MAOAMAOBP2RX1
SCHEMBL31067286 0.74 KDM4E (0.55) P2RX4MAOAP2RX1MAPTSMN1; SMN2
SCHEMBL10586348 0.74 P2RX4 (0.48) P2RX4ALOX5MAOAMAOBP2RX1
SCHEMBL949678 0.74 P2RX4 (0.54) P2RX4ALOX5MAOAMAOBP2RX1
SCHEMBL31191643 0.74 P2RX4 (0.48) P2RX4ALOX5MAOAMAOBP2RX1
SCHEMBL20308266 0.74 P2RX4 (0.48) P2RX4ALOX5MAOAMAOBP2RX1
SCHEMBL13150242 0.74 P2RX4 (0.48) P2RX4ALOX5MAOAMAOBP2RX1
SCHEMBL47007 0.74 KDM4E (0.55) P2RX4MAOAP2RX1MAPTSMN1; SMN2
SCHEMBL18579885 0.73 P2RX4 (0.44) P2RX4P2RX1P2RX3MAPTSMN1; SMN2
SCHEMBL3969789 0.73 P2RX4 (0.44) P2RX4ALOX5P2RX1P2RX3MAPT

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-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 US disclosed
US-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 US disclosed