SCHEMBL4400609

SCHEMBL4400609

Oc1ccc(-c2cccnc2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.47
ABCB1 P08183 1/20 0.47
BCR P11274 1/20 0.47
RPS6KA3 P51812 1/20 0.45
RIPK1 Q13546 2/20 0.43
ESR2 Q92731 3/20 0.42
ESR1 P03372 3/20 0.42
MMP3 P08254 1/20 0.41
BCL2L1 Q07817 1/20 0.41
USP7 Q93009 3/20 0.41
MKNK1 Q9BUB5 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
FABP1 P07148 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL29709996 0.84 ALDH1A1 (0.50) BCL2L1ALDH1A1HPGDHSD17B10
SCHEMBL8526461 0.84 ALDH1A1 (0.50) BCL2L1ALDH1A1HPGDHSD17B10
SCHEMBL17593363 0.83 MKNK1 (0.46) RIPK1MKNK1MKNK2NPC1RAB9A
SCHEMBL14712123 0.83 MEN1 (0.40) MKNK1MKNK2NPC1RAB9AALDH1A1
SCHEMBL8855211 0.83 TDP1 (0.47) MKNK1MKNK2NPC1RAB9AMAPT
SCHEMBL2592408 0.81 TDP1 (0.44) ABL1RIPK1ALDH1A1MAPT
SCHEMBL3720609 0.81 PTGS2 (0.51) ABL1ABCB1BCRRPS6KA3RIPK1
SCHEMBL6871603 0.80 CAMKK2 (0.56) BCL2L1MKNK1MKNK2NPC1RAB9A
SCHEMBL624668 0.79 MKNK1 (0.64) ABL1ABCB1BCRRPS6KA3USP7
SCHEMBL22230633 0.79 DHODH (0.47) ABL1ABCB1BCRRPS6KA3RIPK1

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-7524060-B2 Therapeutic contact lens for pseudo-aphakic eyes and/or eyes with retinal neuro-degeneration UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 2009-04-28 US claimed