SCHEMBL11058352

SCHEMBL11058352

CCC(=O)NC1=NN(c2ccccc2)C(C)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.49
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ATM Q13315 2/20 0.44
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
HPGD P15428 2/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL10654320 0.90 ABL1 (0.50) ABL1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11057349 0.86 MEN1 (0.54) MEN1KMT2AATMMAPTSMN1; SMN2
SCHEMBL10657219 0.85 ABL1 (0.66) ABL1MEN1KMT2AATMMAPT
SCHEMBL11061146 0.82 MEN1 (0.53) MEN1KMT2AATMMAPTSMN1; SMN2
SCHEMBL10838522 0.82 ABL1 (0.57) ABL1MEN1KMT2AATMMAPT
SCHEMBL10836755 0.79 ABL1 (0.39) ABL1MEN1KMT2AATMMAPT
SCHEMBL10838805 0.74 KDM4E (0.39) ABL1SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL11068634 0.74 ABL1 (0.47) ABL1MEN1KMT2AATMMAPT
SCHEMBL11064443 0.73 MEN1 (0.63) ABL1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11054629 0.71 ABL1 (0.67) ABL1MEN1KMT2AATMRAB9A

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-4447442-A ANTIINFLAMMATORY, ANTIARTHRITIC, ANTIHISTAMINE, ANTIALLERGENS, ANALGESICS, BACTERICIDES, AND FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1984-05-08 US disclosed
EP-0070376-A1 Heterocyclic substituted-amino-pyrazolines AMERICAN CYANAMID COMPANY (US) 1983-01-26 EP disclosed
US-4348527-A ANALGESICS, BACTERICIDES, FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1982-09-07 US disclosed