SCHEMBL11530712

SCHEMBL11530712

CCCCCN(C(=O)CC)c1nc(C)co1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
TP53 P04637 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PAX8 Q06710 2/20 0.37
JAK2 O60674 1/20 0.37
GPX4 P36969 1/20 0.36
ELANE P08246 1/20 0.34

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
SCHEMBL11528610 0.99 ALDH1A1 (0.39) ALDH1A1TP53NPC1RAB9APAX8
SCHEMBL11537091 0.96 ELANE (0.37) ALDH1A1TP53NPC1RAB9APAX8
SCHEMBL11531654 0.90 TP53 (0.38) ALDH1A1TP53NPC1RAB9APAX8
SCHEMBL11529943 0.87 ELANE (0.36) ALDH1A1TP53ELANE
SCHEMBL11528881 0.86 KDM5A (0.36) ALDH1A1TP53NPC1RAB9APAX8
SCHEMBL11533072 0.86 ELANE (0.44) ALDH1A1TP53NPC1RAB9APAX8
SCHEMBL11531229 0.86 MLYCD (0.40) TP53NPC1RAB9AELANE
SCHEMBL11528434 0.86 ELANE (0.36) ALDH1A1TP53ELANE
SCHEMBL11533009 0.84 ALDH1A1 (0.45) ALDH1A1TP53NPC1RAB9APAX8
SCHEMBL11534704 0.83 MLYCD (0.39) ALDH1A1TP53NPC1RAB9APAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4150143-A N-Substituted-acylamino-oxazoles as antiasthma agents LILLY INDUSTRIES LIMITED (GB) 1979-04-17 US disclosed
US-4143047-A 2-SULFINYL AND 2-SULFONYL OXAZOLES LILLY INDUSTRIES LIMITED (GB) 1979-03-06 US disclosed
US-4122183-A ANTIASTHMATIC LILLY INDUSTRIES LIMITED (GB) 1978-10-24 US disclosed