SCHEMBL5312965

SCHEMBL5312965

O=C(NCc1ccccc1)c1ccccc1[AsH2]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.69
HPGD P15428 3/20 0.65
GAA P10253 2/20 0.65
LMNA P02545 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
APEX1 P27695 1/20 0.64
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
TP53 P04637 1/20 0.59
GLA P06280 1/20 0.59
NSD2 O96028 3/20 0.58
SGMS2 Q8NHU3 1/20 0.58
CYP2C19 P33261 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
HDAC2 Q92769 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
SCHEMBL11901003 0.87 KMT2A (0.89) KMT2AHPGDGAALMNAL3MBTL1
SCHEMBL31680569 0.87 KMT2A (0.89) KMT2AHPGDGAALMNAL3MBTL1
SCHEMBL1984940 0.81 KMT2A (1.00) KMT2AHPGDGAALMNAL3MBTL1
SCHEMBL8635709 0.81 KMT2A (1.00) KMT2AHPGDGAALMNAL3MBTL1
SCHEMBL1979028 0.80 KMT2A (0.71) KMT2AHPGDGAALMNAL3MBTL1
SCHEMBL7183285 0.80 KMT2A (0.71) KMT2AHPGDGAALMNAL3MBTL1
SCHEMBL27416444 0.79 KMT2A (0.65) KMT2AHPGDGAALMNAL3MBTL1
SCHEMBL9853965 0.79 KMT2A (0.74) KMT2AHPGDGAALMNAL3MBTL1
SCHEMBL12181631 0.79 ALDH1A1 (0.74) KMT2AHPGDGAALMNAL3MBTL1
SCHEMBL5860823 0.79 NPC1 (0.71) KMT2AHPGDGAALMNAL3MBTL1

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-1383750-B1 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL LAB (ES) 2007-09-26 EP disclosed