SCHEMBL11557917

SCHEMBL11557917

O=C(OCc1ccccc1)C1Cc2sc(Cl)cc2CN1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 3/20 0.40
▸ CYP19A1 P11511 1/20 0.38
▸ KAT2B Q92831 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ POLB P06746 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
SCHEMBL11564950 0.90 MEN1 (0.45) POLB
SCHEMBL11562644 0.86 CYP19A1 (0.42) CYP19A1TDP1
SCHEMBL11427641 0.83 ACE (0.42) FKBP1ACYP19A1TDP1
Hydrochloric Acid SCHEMBL11560085 0.82 ACE (0.41) FKBP1ACYP19A1TDP1
SCHEMBL11563644 0.79 FKBP1A (0.42) FKBP1ACYP19A1TDP1
SCHEMBL16589449 0.78 FKBP1A (0.49) FKBP1ATDP1
SCHEMBL6487168 0.74 FKBP1A (0.55) FKBP1ATDP1
SCHEMBL4478400 0.72 CYP19A1 (0.53) CYP19A1
SCHEMBL6820388 0.71 HDAC8 (0.48) CYP19A1
SCHEMBL11562455 0.71 MMP9 (0.45) CYP19A1

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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