SCHEMBL9853965

SCHEMBL9853965

O=C(Cl)c1ccccc1C(=O)NCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.74
APEX1 P27695 1/20 0.69
HPGD P15428 3/20 0.65
GAA P10253 2/20 0.65
LMNA P02545 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
METAP2 P50579 1/20 0.63
CHRNB2 P17787 1/20 0.63
CHRNB4 P30926 1/20 0.63
CHRNA3 P32297 1/20 0.63
CHRNA4 P43681 1/20 0.63
CYP2C19 P33261 2/20 0.59
TP53 P04637 1/20 0.59
GLA P06280 1/20 0.59
CYP1A2 P05177 1/20 0.59
NSD2 O96028 3/20 0.58
SGMS2 Q8NHU3 1/20 0.58
HSP90AA1 P07900 1/20 0.56
ALDH1A1 P00352 1/20 0.56
USP2 O75604 1/20 0.55

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
SCHEMBL31680569 0.91 KMT2A (0.89) KMT2AAPEX1HPGDGAALMNA
SCHEMBL11901003 0.91 KMT2A (0.89) KMT2AAPEX1HPGDGAALMNA
SCHEMBL8635709 0.85 KMT2A (1.00) KMT2AAPEX1HPGDGAALMNA
SCHEMBL1984940 0.85 KMT2A (1.00) KMT2AAPEX1HPGDGAALMNA
SCHEMBL5860823 0.82 NPC1 (0.71) KMT2AAPEX1HPGDGAALMNA
SCHEMBL1979028 0.80 KMT2A (0.71) KMT2AAPEX1HPGDGAALMNA
SCHEMBL7183285 0.80 KMT2A (0.71) KMT2AAPEX1HPGDGAALMNA
SCHEMBL11319016 0.79 KMT2A (0.69) KMT2AAPEX1HPGDGAALMNA
SCHEMBL12181631 0.79 ALDH1A1 (0.74) KMT2AAPEX1HPGDGAALMNA
SCHEMBL17686276 0.79 HPGD (1.00) KMT2AAPEX1HPGDGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0425134-A1 Condensed pyrrolo derivatives, process for their preparation and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-05-02 EP disclosed