SCHEMBL9700619

SCHEMBL9700619

CCCCc1cncc(C(=O)OCC)c1NCc1ccc(-c2ccccc2)c(-c2nnn[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 9/20 0.44
▸ AGTR2 P50052 9/20 0.44
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TDP1 Q9NUW8 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
SCHEMBL9592495 0.91 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9699476 0.75 AGTR1 (0.49) AGTR1AGTR2ALDH1A1LMNAMAPT
SCHEMBL9529965 0.74 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9592385 0.73 AGTR1 (0.76) AGTR1AGTR2ALDH1A1LMNAMAPT
SCHEMBL9443057 0.73 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9592562 0.72 AGTR1 (0.74) AGTR1AGTR2ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL9588802 0.72 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL9592139 0.71 AGTR1 (0.58) AGTR1AGTR2ALDH1A1MAPT
SCHEMBL9590611 0.71 AGTR1 (0.76) AGTR1AGTR2ALDH1A1LMNAMAPT
SCHEMBL9025416 0.70 AGTR1 (0.47) AGTR1AGTR2ALDH1A1HPGDKDM4E

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
WO-1992014468-A1 PSORIASIS TREATMENT ABBOTT LABORATORIES (US) 1992-09-03 — — WO disclosed
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