SCHEMBL1554905

SCHEMBL1554905

NCCOB(Oc1ccc(Cl)cc1)Oc1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
ALOX15 P16050 1/20 0.41
ORAI1 Q96D31 1/20 0.38
MAPT P10636 2/20 0.37
CHRNB2 P17787 3/20 0.36
CHRNA4 P43681 3/20 0.36
CYP19A1 P11511 3/20 0.36
GLA P06280 1/20 0.36
DRD4 P21917 1/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHRNA7 P36544 1/20 0.34

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
SCHEMBL1555851 0.89 TDP1 (0.41) KMT2AALOX15CHRNB2CHRNA4LMNA
SCHEMBL5377192 0.84 MAOB (0.40) KMT2AALOX15TDP1
SCHEMBL1555841 0.77 APP (0.44) KMT2AALOX15TDP1
SCHEMBL1555836 0.77 DRD4 (0.43) KMT2AALOX15MAPTDRD4TDP1
SCHEMBL6660834 0.76 TAAR1 (0.52) KMT2AALOX15CYP19A1TDP1
SCHEMBL5382684 0.75 KMT2A (0.51) KMT2AALOX15MAPTCYP19A1GLA
SCHEMBL465983 0.74 TAAR1 (0.54) KMT2AALOX15TDP1
SCHEMBL1555319 0.73 SMN1; SMN2 (0.37) KMT2AMAPTLMNA
SCHEMBL14503517 0.72 KMT2A (0.54) KMT2AALOX15MAPTCYP19A1LMNA
SCHEMBL5372565 0.72 WDR5 (0.41) KMT2AALOX15DRD4LMNATDP1

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
WO-2011050095-A2 PREVENTION AND TREATMENT OF POST-OPERATIVE COGNITIVE DYSFUNCTION (POCD) THE GENERAL HOSPITAL CORPORATION (US) 2011-04-28 WO disclosed