SCHEMBL2449552

SCHEMBL2449552

O=C(Nc1ccc(F)cc1)C1CCCNC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.56
KMT2A Q03164 1/20 0.54
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
ENPP3 O14638 3/20 0.51
ENPP1 P22413 2/20 0.51
ENPP2 Q13822 2/20 0.51
ALOX15 P16050 1/20 0.51
PTPN1 P18031 2/20 0.50
POLB P06746 1/20 0.50
CDK9 P50750 1/20 0.49
F10 P00742 1/20 0.49
TNKS O95271 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48

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
Hydrochloric Acid SCHEMBL193349 0.99 ULK1 (0.55) ULK1KMT2ARAB9ANPC1ENPP3
SCHEMBL2146675 0.91 KMT2A (0.56) ULK1KMT2ARAB9ANPC1ENPP3
SCHEMBL2146682 0.91 KMT2A (0.56) ULK1KMT2ARAB9ANPC1ENPP3
Hydrochloric Acid SCHEMBL2146071 0.90 KMT2A (0.55) ULK1KMT2ARAB9ANPC1ENPP3
Hydrochloric Acid SCHEMBL2146077 0.90 KMT2A (0.55) ULK1KMT2ARAB9ANPC1ENPP3
SCHEMBL4564743 0.87 ULK1 (0.64) ULK1KMT2ARAB9AALOX15PTPN1
SCHEMBL2448229 0.85 ULK1 (0.56) ULK1RAB9AENPP3ENPP1ENPP2
SCHEMBL2451482 0.85 ULK1 (0.56) ULK1RAB9ANPC1POLB
SCHEMBL2446479 0.85 HPGD (0.66) ULK1KMT2AALOX15PTPN1POLB
SCHEMBL1318166 0.85 HPGD (0.66) ULK1KMT2AALOX15PTPN1POLB

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
WO-2022158875-A1 ANTIBACTERIAL PEPTIDE AND COMPOUND TARGETING KLEBSIELLA PNEUMONIAE TOXIN-ANTITOXIN SYSTEM, AND USES OF SAME 서울대학교산학협력단 2022-07-28 WO disclosed
EP-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 EP disclosed