SCHEMBL740421

SCHEMBL740421

COCCCNc1cc(C#N)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 2/20 0.56
▸ LMNA P02545 4/20 0.53
▸ MAPT P10636 9/20 0.50
▸ ALDH1A1 P00352 5/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ ALPG P10696 1/20 0.47
▸ HTT P42858 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ PKM P14618 1/20 0.45
▸ HCAR3 P49019 1/20 0.44
▸ HTR6 P50406 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ VCAM1 P19320 1/20 0.43

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
SCHEMBL29737974 0.92 LMNA (0.63) KAT2BLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL20571599 0.92 LMNA (0.63) KAT2BLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL762635 0.86 KAT2B (0.60) KAT2BLMNAMAPTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL515537 0.82 KAT2B (0.81) KAT2BLMNAMAPTPKMHTR6
SCHEMBL8246358 0.82 KAT2B (0.58) KAT2BLMNAMAPTALDH1A1PKM
SCHEMBL26913572 0.82 KAT2B (0.65) KAT2BLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL8313477 0.82 KAT2B (0.69) KAT2BLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL739095 0.82 MAPT (0.64) KAT2BLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL7745956 0.81 LMNA (0.57) KAT2BLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL741469 0.81 MAPT (0.70) KAT2BLMNAMAPTALDH1A1SMN1; 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
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 — — US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 — — US disclosed
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