SCHEMBL9246140

SCHEMBL9246140

COC(=O)C(Nc1cc(C(=O)O)ccc1NCCN1CCN(Cc2ccccc2)CC1)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ FAAH O00519 2/20 0.41
▸ ACHE P22303 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MCHR1 Q99705 2/20 0.41
▸ TSHR P16473 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ BCHE P06276 1/20 0.39

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
Hydrochloric Acid SCHEMBL9256207 0.80 KDM4E (0.38) ALDH1A1MAPTCYP2D6CYP2C9LMNA
SCHEMBL9257204 0.76 FNTA (0.41) ALDH1A1MAPTFAAHACHECYP3A4
Acetic Acid SCHEMBL9251656 0.75 PTGER4 (0.42) ALDH1A1KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL9252440 0.75 MAPT (0.46) ALDH1A1KMT2AMEN1MAPTTSHR
SCHEMBL9252729 0.74 MAPT (0.60) MAPTACHE
SCHEMBL9255341 0.74 KDM4E (0.45) ALDH1A1KMT2AMEN1MAPTCYP3A4
SCHEMBL9251862 0.73 HCAR3 (0.43) ALDH1A1KMT2AMEN1MAPT
SCHEMBL9256135 0.70 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1MAPT
SCHEMBL9246132 0.70 LMNA (0.48) ALDH1A1MAPTFAAHACHEMCHR1
SCHEMBL11605256 0.69 KMT2A (0.54) ALDH1A1KMT2AMEN1MAPTTSHR

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
US-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 — — US disclosed
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