SCHEMBL7375966

SCHEMBL7375966

O=C(O)CCc1cc(Cl)cc(Cl)c1NC(=O)CNC(=O)c1cccc(NC(=O)NCc2nc3ccccc3[nH]2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
RECQL P46063 1/20 0.45
NTRK1 P04629 4/20 0.44
NTRK2 Q16620 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.40
CHRM1 P11229 1/20 0.40
MAPK10 P53779 1/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL7338744 0.85 LMNA (0.46) SMN1; SMN2KMT2AMAPTKDM4EALDH1A1
SCHEMBL6778175 0.79 ITGB3 (0.45) TSHRRECQLNTRK1NTRK2
SCHEMBL4336179 0.78 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AMAPTALDH1A1LMNA
SCHEMBL7350844 0.77 MAPT (0.53) SMN1; SMN2KMT2AMAPTKDM4EALDH1A1
SCHEMBL7347348 0.74 KMT2A (0.38) SMN1; SMN2KMT2AMAPTALDH1A1LMNA
SCHEMBL7343852 0.74 SMN1; SMN2 (0.38) SMN1; SMN2KMT2AMAPTALDH1A1LMNA
SCHEMBL7343848 0.74 SMN1; SMN2 (0.38) SMN1; SMN2KMT2AMAPTALDH1A1LMNA
SCHEMBL7345600 0.73 NPC1 (0.39) SMN1; SMN2KMT2APOLBMAPTKDM4E
SCHEMBL7369754 0.73 ITGB1 (0.48) SMN1; SMN2KMT2AMAPTLMNAMEN1
SCHEMBL7366148 0.73 TSHR (0.41) TSHRRECQLNTRK1NTRK2SMN1; SMN2

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-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP claimed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO claimed