SCHEMBL11458462

SCHEMBL11458462

CCc1cccc(CC)c1N(CCl)C(=O)c1ccco1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.46
OPRM1 P35372 1/20 0.44
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 5/20 0.42
NPSR1 Q6W5P4 3/20 0.42
NPC1 O15118 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.41
ATM Q13315 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 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
SCHEMBL11214373 0.84 LMNA (0.47) OPRM1ALDH1A1RAB9ANPSR1LMNA
SCHEMBL11213487 0.76 TP53 (0.50) TP53ALDH1A1NPSR1HPGDNR1I2
SCHEMBL9614029 0.73 TP53 (0.71) TP53ALDH1A1SMN1; SMN2RAB9ANPSR1
SCHEMBL10890357 0.72 OPRM1 (0.46) TP53OPRM1ALDH1A1RAB9ANPSR1
SCHEMBL2169988 0.70 POLB (0.55) TP53ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL11153995 0.69 OPRM1 (0.48) OPRM1ALDH1A1SMN1; SMN2RAB9ANPSR1
SCHEMBL11684645 0.68 NPC1 (0.46) TP53ALDH1A1SMN1; SMN2RAB9ANPSR1
SCHEMBL8452946 0.68 CES2 (0.46) ALDH1A1SMN1; SMN2RAB9ANPSR1NPC1
SCHEMBL11833603 0.68 S1PR4 (0.49) OPRM1ALDH1A1RAB9ANPSR1NPC1
SCHEMBL14640214 0.67 TP53 (0.55) TP53ALDH1A1SMN1; SMN2RAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4235928-A Substituted cyanamides and their use as fungicides BASF AKTIENGESELLSCHAFT (DE) 1980-11-25 US disclosed