SCHEMBL28429264

SCHEMBL28429264

CN(C(=O)Nc1ccc(Cl)cc1)c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
RAB9A P51151 4/20 0.54
PKM P14618 1/20 0.54
SLC6A3 Q01959 1/20 0.50
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MLYCD O95822 1/20 0.48
TP53 P04637 1/20 0.48
CNR1 P21554 2/20 0.47
GRIK1 P39086 1/20 0.46
P2RX1 P51575 1/20 0.46
GPBAR1 Q8TDU6 1/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL19707227 0.92 TSHR (0.70) TSHRRAB9APKMALDH1A1SMN1; SMN2
SCHEMBL28437707 0.86 TSHR (0.62) TSHRRAB9APKMALDH1A1SMN1; SMN2
SCHEMBL16518679 0.84 MLYCD (0.65) RAB9AALDH1A1SMN1; SMN2POLBNPC1
SCHEMBL11050841 0.84 TSHR (0.64) TSHRRAB9APKMALDH1A1SMN1; SMN2
SCHEMBL28439399 0.82 MAPT (0.60) TSHRRAB9APKMALDH1A1SMN1; SMN2
SCHEMBL28431091 0.77 MAPT (0.59) TSHRRAB9APKMALDH1A1SMN1; SMN2
SCHEMBL29494992 0.76 KMT2A (0.52) RAB9AALDH1A1POLBNPC1MAPT
SCHEMBL22103775 0.76 KMT2A (0.52) RAB9AALDH1A1POLBNPC1MAPT
Monuron SCHEMBL8539289 0.76 TSHR (1.00) TSHRRAB9APKMALDH1A1NPC1
SCHEMBL12292880 0.76 TSHR (0.66) TSHRALDH1A1POLBKMT2ALMNA

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
CN-111304684-B Method for preparing benzimidazolone through electrocatalysis 长沙理工大学 2021-07-30 CN disclosed
CN-111304684-A Method for preparing benzimidazolone through electrocatalysis 长沙理工大学 2020-06-19 CN disclosed