SCHEMBL11533009

SCHEMBL11533009

CCCCN(C(=O)CCl)c1nc(C)co1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TP53 P04637 2/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
PAX8 Q06710 2/20 0.45
JAK2 O60674 1/20 0.45
GPX4 P36969 1/20 0.43
ELANE P08246 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NR1I2 O75469 1/20 0.33

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
SCHEMBL11537091 0.89 ELANE (0.37) ALDH1A1TP53RAB9ANPC1PAX8
SCHEMBL11534629 0.88 MLYCD (0.35) ALDH1A1TP53RAB9ANPC1PAX8
SCHEMBL11531229 0.87 MLYCD (0.40) TP53RAB9ANPC1ELANEMEN1
SCHEMBL11528434 0.87 ELANE (0.36) ALDH1A1TP53ELANE
SCHEMBL11529943 0.86 ELANE (0.36) ALDH1A1TP53ELANE
SCHEMBL11533525 0.85 ALDH1A1 (0.34) ALDH1A1TP53RAB9ANPC1PAX8
SCHEMBL11528881 0.85 KDM5A (0.36) ALDH1A1TP53RAB9ANPC1PAX8
SCHEMBL11374453 0.84 ELANE (0.36) ALDH1A1TP53ELANEMEN1KMT2A
SCHEMBL11530712 0.84 ALDH1A1 (0.37) ALDH1A1TP53RAB9ANPC1PAX8
SCHEMBL11535507 0.84 ELANE (0.49) ELANEMEN1KMT2A

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