SCHEMBL21141308

SCHEMBL21141308

CC(CCN)NC(=O)Nc1ccc(Cl)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
MAPK1 P28482 1/20 0.50
HTT P42858 2/20 0.46
RAB9A P51151 7/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 7/20 0.45
NPC1 O15118 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 4/20 0.44
ATM Q13315 2/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL21141375 0.83 TAS1R3 (0.62) TAS1R3TAS1R1MAPK1RAB9AMAPT
SCHEMBL12932744 0.81 MAPK1 (0.72) TAS1R3TAS1R1MAPK1HTTRAB9A
SCHEMBL21141301 0.80 RAB9A (0.56) HTTRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL5923935 0.78 TAS1R3 (0.70) TAS1R3TAS1R1MAPK1HTTRAB9A
SCHEMBL21141297 0.78 KDM4E (0.58) HTTRAB9AUSP2HPGDMAPT
SCHEMBL21141305 0.77 PKM (0.64) HTTRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL21141318 0.76 MAPK1 (0.50) MAPK1RAB9AHPGDNPC1SMN1; SMN2
SCHEMBL5471126 0.75 RAB9A (0.65) HTTRAB9AUSP2HPGDMAPT
SCHEMBL14254797 0.75 ALDH1A1 (0.55) TAS1R3TAS1R1MAPK1HTTRAB9A
SCHEMBL21141321 0.73 TAS1R3 (0.63) TAS1R3TAS1R1HTTRAB9AHPGD

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-10646850-B2 Material for blood purification TORAY INDUSTRIES, INC. (JP) 2020-05-12 US disclosed
US-20190184371-A1 MATERIAL FOR BLOOD PURIFICATION TORAY INDUSTRIES, INC. (JP) 2019-06-20 US disclosed