SCHEMBL18535239

SCHEMBL18535239

COc1ccc(Cc2nc3ccccc3[nH]2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 1.00
KDM4E B2RXH2 3/20 0.63
ALDH1A1 P00352 1/20 0.63
HPGD P15428 1/20 0.63
SMN1; SMN2 Q16637 4/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
GAA P10253 1/20 0.59
TSHR P16473 1/20 0.57
MAPK10 P53779 1/20 0.57
GRIN1 Q05586 2/20 0.57
GRIN2B Q13224 2/20 0.57
PKM P14618 2/20 0.54
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
CA2 P00918 1/20 0.51
KRAS P01116 1/20 0.50
DDAH1 O94760 1/20 0.50

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
SCHEMBL16148690 0.90 POLB (0.81) POLBKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL20106695 0.88 POLB (0.78) POLBKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL11819475 0.81 GRIN1 (0.74) POLBKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL29822900 0.81 SMN1; SMN2 (0.67) POLBALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL27681975 0.81 SMN1; SMN2 (0.67) POLBALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7986158 0.80 POLB (0.66) POLBKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL16147888 0.79 POLB (0.65) POLBKDM4EHPGDSMN1; SMN2NPC1
SCHEMBL16147978 0.79 POLB (0.64) POLBKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL15643368 0.78 POLB (0.64) POLBKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL30902073 0.78 SMN1; SMN2 (0.69) POLBSMN1; SMN2NPC1RAB9AGAA

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
EP-2083819-B1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORP (US) 2017-02-22 EP disclosed