SCHEMBL4004786

SCHEMBL4004786

O=C1C=c2cc(NC(=O)c3cccnc3Oc3ccc(Cl)cc3)ccc2=C[N]1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.61
NPC1 O15118 1/20 0.51
TSHR P16473 1/20 0.51
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.46
KDR P35968 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
PNLIP P16233 4/20 0.45
MAPT P10636 1/20 0.43

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
SCHEMBL4001431 0.76 MEN1 (0.55) NPC1TSHRRAB9AKMT2AKDM4E
SCHEMBL11247603 0.76 NPC1 (0.63) POLBNPC1TSHRRAB9AKMT2A
SCHEMBL4003989 0.75 POLB (0.59) POLBNPC1TSHRRAB9AKMT2A
SCHEMBL13873725 0.74 POLB (0.61) POLBRAB9AKMT2AKDM4EALDH1A1
SCHEMBL4009843 0.74 SMN1; SMN2 (0.49) NPC1KMT2AKDM4EALDH1A1MAPT
SCHEMBL10972474 0.70 KMT2A (0.70) POLBNPC1TSHRKMT2AKDM4E
SCHEMBL10968923 0.70 KMT2A (0.60) POLBNPC1TSHRKMT2AKDM4E
SCHEMBL4939060 0.70 KMT2A (0.82) POLBKMT2AKDM4EALDH1A1GAA
SCHEMBL13754015 0.69 POLB (0.68) POLBNPC1TSHRRAB9AKMT2A
SCHEMBL10969124 0.69 P2RY1 (0.60) POLBNPC1TSHRKMT2AKDM4E

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
EP-2068878-A2 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-06-17 EP claimed
WO-2008036540-A2 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-03-27 WO claimed