SCHEMBL21295592

SCHEMBL21295592

CCCOc1ccc(C(=O)Nc2cccc3ccc(C)nc23)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.75
POLB P06746 2/20 0.75
CHRNB2 P17787 5/20 0.66
CHRNA4 P43681 5/20 0.66
CHRNB4 P30926 4/20 0.66
CHRNA3 P32297 4/20 0.66
KMT2A Q03164 2/20 0.61
MAPT P10636 7/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
LMNA P02545 3/20 0.60
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
HSD17B10 Q99714 1/20 0.60
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 1/20 0.53
GAA P10253 1/20 0.53
PKM P14618 1/20 0.53
MEN1 O00255 1/20 0.53
ALOX12 P18054 1/20 0.53

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
SCHEMBL17552186 0.91 KMT2A (0.74) TP53POLBCHRNB2CHRNA4CHRNB4
SCHEMBL29831356 0.91 KMT2A (0.74) TP53POLBCHRNB2CHRNA4CHRNB4
SCHEMBL29911013 0.84 POLB (0.62) TP53POLBKMT2AMAPTNPC1
SCHEMBL17552175 0.84 POLB (0.62) TP53POLBKMT2AMAPTNPC1
SCHEMBL26798520 0.81 MAPT (0.64) TP53POLBKMT2AMAPTNPC1
SCHEMBL29419544 0.81 MAPT (0.73) TP53POLBKMT2AMAPTSMN1; SMN2
SCHEMBL29911029 0.81 MAPT (0.73) TP53POLBKMT2AMAPTSMN1; SMN2
SCHEMBL17552230 0.81 MAPT (0.73) TP53POLBKMT2AMAPTSMN1; SMN2
SCHEMBL29911092 0.81 TP53 (0.64) TP53POLBKMT2AMAPTHSD17B10
SCHEMBL17552181 0.81 TP53 (0.64) TP53POLBKMT2AMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3755434-A1 TREATMENT FOR AGE- AND OXIDATIVE STRESS-ASSOCIATED MUSCLE ATROPHY AND WEAKNESS Oklahoma Medical Research Foundation (US) 2020-12-30 EP disclosed
WO-2019164597-A1 TREATMENT FOR AGE- AND OXIDATIVE STRESS-ASSOCIATED MUSCLE ATROPHY AND WEAKNESS OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2019-08-29 WO disclosed