SCHEMBL7931439

SCHEMBL7931439

O=C(O)CN1Cc2ccccc2CCC1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ SIRT1 Q96EB6 1/20 0.45
▸ POLB P06746 3/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ACE P12821 3/20 0.43
▸ MME P08473 1/20 0.43
▸ HSD17B3 P37058 1/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL38662990 0.85 KDM4E (0.54) KDM4EALOX15TSHRSIRT1POLB
SCHEMBL5191836 0.75 ITGB3 (0.52) KDM4EALOX15TSHRSIRT1POLB
SCHEMBL29676908 0.75 KDM4E (0.71) KDM4EALOX15TSHRSIRT1KMT2A
Hydrochloric Acid SCHEMBL7399479 0.75 ALDH1A1 (0.58) KDM4EALOX15POLBKMT2AMAPT
SCHEMBL311850 0.75 KDM4E (0.71) KDM4EALOX15TSHRSIRT1KMT2A
Hydrochloric Acid SCHEMBL1374318 0.75 ALDH1A1 (0.58) KDM4EALOX15POLBKMT2AMAPT
Hydrochloric Acid SCHEMBL1371861 0.74 NOTUM (0.45) KDM4EALOX15KMT2ARAB9ASMN1; SMN2
SCHEMBL29456062 0.73 POLB (0.64) KDM4EPOLBCYP2C9CYP2C19KMT2A
SCHEMBL12153004 0.73 CYP2A6 (0.40) POLBKMT2AHSD17B3
SCHEMBL933584 0.73 POLB (0.64) KDM4EPOLBCYP2C9CYP2C19KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010034041-A1 PEPTIDES AND PEPTIDOMIMETIC COMPOUNDS, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2010-04-01 — — WO disclosed
EP-0994892-A1 SELECTIVE FACTOR Xa INHIBITORS COR THERAPEUTICS, INC. (US) 2000-04-26 — — EP disclosed
WO-1999007732-A1 SELECTIVE FACTOR Xa INHIBITORS COR THERAPEUTICS, INC. (US) 1999-02-18 — — WO disclosed
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