SCHEMBL11564950

SCHEMBL11564950

CCOC(=O)C1Cc2sc(Cl)cc2CN1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ POLB P06746 1/20 0.42
▸ SIGMAR1 Q99720 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NR1D1 P20393 2/20 0.40
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ADORA1 P30542 1/20 0.38

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
SCHEMBL11557917 0.90 FKBP1A (0.40) POLB
SCHEMBL11562644 0.85 CYP19A1 (0.42) MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4663812 0.78 MEN1 (0.49) MEN1KMT2APOLBSIGMAR1ALDH1A1
SCHEMBL8275351 0.78 MEN1 (0.49) MEN1KMT2APOLBSIGMAR1ALDH1A1
SCHEMBL4663816 0.78 MEN1 (0.49) MEN1KMT2APOLBSIGMAR1ALDH1A1
SCHEMBL11147455 0.75 MEN1 (0.55) MEN1KMT2APOLBSIGMAR1ALDH1A1
SCHEMBL11427641 0.73 ACE (0.42) ALDH1A1
Hydrochloric Acid SCHEMBL11560085 0.73 ACE (0.41) —
SCHEMBL7340659 0.72 MEN1 (0.48) MEN1KMT2APOLBSIGMAR1ALDH1A1
SCHEMBL2769755 0.71 MEN1 (0.64) MEN1KMT2APOLBALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4147787-A ANTICOAGULANTS PARCOR (FR) 1979-04-03 — — US disclosed
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