SCHEMBL10344490

SCHEMBL10344490

CCOC(=O)Nc1c[c]c(Br)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
HPGD P15428 4/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
HTT P42858 1/20 0.47
F2R P25116 1/20 0.46
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 3/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL10344815 0.81 SMN1; SMN2 (0.52) NPC1RAB9AHPGDCRHBPCRHR2
SCHEMBL10344809 0.81 L3MBTL1 (0.52) NPC1RAB9AHPGDCRHBPCRHR2
SCHEMBL7565510 0.79 RAB9A (0.71) NPC1RAB9AHPGDCRHBPCRHR2
SCHEMBL1187780 0.78 HPGD (0.61) NPC1RAB9AHPGDCRHBPCRHR2
SCHEMBL3064656 0.76 SMN1; SMN2 (0.50) NPC1RAB9AHPGDSMN1; SMN2CYP2C19
SCHEMBL1719720 0.74 SMN1; SMN2 (0.71) NPC1RAB9AHPGDCRHBPCRHR2
SCHEMBL7565512 0.74 RAB9A (0.70) NPC1RAB9AHPGDCRHBPCRHR2
SCHEMBL9146676 0.74 LMNA (0.68) NPC1RAB9AHPGDCRHBPCRHR2
SCHEMBL11790359 0.74 RAB9A (0.65) NPC1RAB9AHPGDCRHBPCRHR2
SCHEMBL9681078 0.74 NPC1 (0.56) NPC1RAB9AHPGDCRHBPCRHR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0192111-B1 ISO-UREAS, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1990-05-16 EP disclosed
US-4692187-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1987-09-08 US disclosed
EP-0192111-A1 Iso-ureas, processes for their production and their use as herbicides BASF Aktiengesellschaft (DE) 1986-08-27 EP disclosed