SCHEMBL28763237

SCHEMBL28763237

O=C(Oc1ccc(Cl)nc1)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ HTT P42858 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ ELANE P08246 2/20 0.47
▸ CHRNA3 P32297 5/20 0.45
▸ CHRNB2 P17787 3/20 0.45
▸ CHRNA4 P43681 3/20 0.45
▸ CHRNB4 P30926 2/20 0.45
▸ CHRNA7 P36544 1/20 0.45
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ NAPRT Q6XQN6 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CHRNB1 P11230 1/20 0.40
▸ CHRNB3 Q05901 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40

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
SCHEMBL31396644 1.00 KMT2A (0.53) KMT2ASMN1; SMN2HTTTDP1ELANE
SCHEMBL28589485 0.94 KMT2A (0.59) KMT2ASMN1; SMN2HTTTDP1ELANE
SCHEMBL28422495 0.94 KMT2A (0.64) KMT2ASMN1; SMN2HTTTDP1ELANE
SCHEMBL28876550 0.90 KMT2A (0.46) KMT2ASMN1; SMN2HTTTDP1ELANE
SCHEMBL28964033 0.87 KMT2A (0.49) KMT2ASMN1; SMN2HTTTDP1CHRNA3
SCHEMBL28417308 0.86 CYP11B1 (0.41) KMT2ASMN1; SMN2HTTTDP1CHRNA3
SCHEMBL9153828 0.85 KMT2A (0.43) KMT2ASMN1; SMN2HTTTDP1ELANE
SCHEMBL9153831 0.85 KMT2A (0.43) KMT2ASMN1; SMN2HTTTDP1ELANE
SCHEMBL9153824 0.85 KMT2A (0.43) KMT2ASMN1; SMN2HTTTDP1ELANE
SCHEMBL9157051 0.84 KMT2A (0.42) KMT2ASMN1; SMN2HTTTDP1ELANE

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
CN-102686572-A Oxazoline derivatives for treatment of CNS disorders HOFFMANN LA ROCHE 2012-09-19 — — CN disclosed
CN-101001842-A Amido compounds and their use as pharmaceuticals INCYTE CORP (US) 2007-07-18 — — CN disclosed
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