SCHEMBL10489374

SCHEMBL10489374

CNC(=O)CCOc1nc2ccccc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.45
NPC1 O15118 7/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
TP53 P04637 2/20 0.45
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.41
F2 P00734 1/20 0.41
MIF P14174 1/20 0.41
GLO1 Q04760 1/20 0.40
PPARG P37231 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CEPT1 Q9Y6K0 1/20 0.40
HCRTR2 O43614 1/20 0.40
TSHR P16473 3/20 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
SCHEMBL11547369 0.83 RAB9A (0.43) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL13481254 0.76 NPC1 (0.50) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL2078486 0.75 ELANE (0.57) ALDH1A1KDM4E
SCHEMBL18013086 0.75 MAPT (0.53) TP53MAPTALDH1A1HSD17B10KMT2A
SCHEMBL9803899 0.75 LTA4H (0.46) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL8861871 0.75 SMN1; SMN2 (0.46) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL2539650 0.74 MEN1 (0.50) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL16726530 0.73 LOXL2 (0.53) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL8707412 0.73 TSHR (0.57) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL10959846 0.73 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2TP53MAPT

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-4833243-A BENZOOXAZOLES OR BENZOTHIAZOLES BAYER AKTIENGESELLSCHAFT (DE) 1989-05-23 US disclosed
US-4509971-A Benzothiazole substituted carboxylic acid amide compounds and herbicidal methods compositions thereof BAYER AKTIENGESELLSCHAFT (DE) 1985-04-09 US disclosed