SCHEMBL9250005

SCHEMBL9250005

CN1C(c2cccnc2)SC[C@H]1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ BLM P54132 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL9250009 1.00 ALDH1A1 (0.54) ALDH1A1KDM4EBLMALOX15POLB
SCHEMBL9853999 0.84 POLB (0.58) ALDH1A1KDM4EPOLB
Acetic Acid SCHEMBL9854087 0.83 POLB (0.57) ALDH1A1KDM4EPOLB
SCHEMBL9718128 0.83 NPSR1 (0.50) ALDH1A1KDM4EPOLBMAPTNPSR1
SCHEMBL10425283 0.82 ALDH1A1 (0.52) ALDH1A1KDM4EMAPT
SCHEMBL9740818 0.82 ALDH1A1 (0.52) ALDH1A1KDM4EMAPT
SCHEMBL11189829 0.79 KDM4E (0.45) ALDH1A1KDM4E
SCHEMBL11247271 0.79 KDM4E (0.45) ALDH1A1KDM4E
SCHEMBL8870492 0.78 KDM4E (0.46) ALDH1A1KDM4EPOLB
SCHEMBL3826056 0.78 KDM4E (0.46) ALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 — — US disclosed
CN-1058780-A Has the active thiazolidine carboxylic acid amides derivative of anti-allergy, their preparation and application SANKYO CO (JP) 1992-02-19 — — CN disclosed
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