SCHEMBL10409302

SCHEMBL10409302

CCN(CCOC(=O)OC)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NOX1 Q9Y5S8 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 1/20 0.46
CNR2 P34972 2/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
TSHR P16473 3/20 0.43
GLA P06280 1/20 0.42
CHRM2 P08172 1/20 0.41

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
SCHEMBL10768799 0.92 MTNR1A (0.44) LMNACYP1A2CYP2D6MEN1KMT2A
SCHEMBL11207897 0.88 SMN1; SMN2 (0.47) LMNACYP1A2CYP2D6MEN1KMT2A
SCHEMBL11148002 0.85 ATM (0.42) LMNACYP1A2CYP2D6MEN1KMT2A
SCHEMBL11519483 0.84 GFER (0.49) LMNACYP1A2CYP2D6MEN1KMT2A
SCHEMBL5691122 0.84 MEN1 (0.48) LMNACYP1A2CYP2D6MEN1KMT2A
Hydrochloric Acid SCHEMBL11671229 0.84 SCN5A (0.44) LMNACYP1A2CYP2D6MEN1KMT2A
SCHEMBL11670888 0.83 ALDH1A1 (0.42) LMNACYP1A2CYP2D6MEN1KMT2A
SCHEMBL11670465 0.83 MTNR1A (0.46) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL11662287 0.83 MEN1 (0.45) LMNACYP1A2CYP2D6MEN1KMT2A
SCHEMBL17858617 0.83 SMN1; SMN2 (0.44) LMNACYP1A2CYP2D6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4960874-A DYEING CELLULOSE ESTERS AND POLYESTERS BASF AKTIENGESELLSCHAFT (DE) 1990-10-02 US disclosed
US-4764600-A Isothiazolylazo dyes having aminophenyl and aminonaphthyl components BASF AKTIENGESELLSCHAFT (DE) 1988-08-16 US disclosed
EP-0087616-B1 ISOTHIAZOLAZO DYESTUFFS BASF Aktiengesellschaft (DE) 1986-02-05 EP disclosed
EP-0087616-A1 Isothiazolazo dyestuffs BASF Aktiengesellschaft (DE) 1983-09-07 EP disclosed
US-4392998-A One pot diazotization, coupling and quaternization of aminotriazoles BAYER AKTIENGESELLSCHAFT (DE) 1983-07-12 US disclosed
EP-0036116-B1 METHOD OF PREPARING AZO DYESTUFFS BAYER AG (DE) 1983-05-18 EP disclosed
EP-0036505-B1 PROCESS FOR THE PREPARATION OF CATIONIC DYESTUFFS AND THEIR USE IN DYEING ACID-MODIFIED SYNTHETIC FIBRES BAYER AG (DE) 1983-03-16 EP disclosed
US-4159265-A Phenylazopyrazolo dyestuffs including disulfimide substituent BAYER AKTIENGESELLSCHAFT (DE) 1979-06-26 US disclosed