SCHEMBL8557472

SCHEMBL8557472

CC1(S)[N]CCC(C(=O)c2ccc(Cl)cc2)C1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.50
▸ MEN1 O00255 5/20 0.50
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ MGLL Q99685 4/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ AGTR1 P30556 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37

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
SCHEMBL8105863 0.66 ALDH1A1 (0.46) KMT2AMEN1MGLLALDH1A1KCNH2
SCHEMBL11528533 0.66 KMO (0.53) KMT2AMEN1MGLLALDH1A1MAPT
SCHEMBL11535666 0.66 KMO (0.53) KMT2AMEN1MGLLALDH1A1MAPT
SCHEMBL8109646 0.66 MGLL (0.43) KMT2AMEN1MGLLLMNAMAPT
SCHEMBL8096311 0.65 MGLL (0.42) KMT2AMEN1MGLLLMNAMAPT
SCHEMBL8155669 0.65 LMNA (0.47) KMT2AMEN1MGLLKCNH2LMNA
SCHEMBL11262335 0.64 MEN1 (0.49) KMT2AMEN1MGLLALDH1A1LMNA
SCHEMBL11531095 0.64 POLB (0.59) KMT2AMEN1CYP2C19MGLLALDH1A1
SCHEMBL4741046 0.64 POLB (0.59) KMT2AMEN1CYP2C19MGLLALDH1A1
SCHEMBL4741482 0.64 POLB (0.59) KMT2AMEN1CYP2C19MGLLALDH1A1

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-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 — — US disclosed
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