SCHEMBL8084622

SCHEMBL8084622

CC1=C(n2ccccc2=O)c2cc(C(N)=S)ccc2OC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.33
SLC9A1 P19634 1/20 0.31
PRKCI P41743 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL8090591 0.91 F10 (0.33) F10SLC9A1
SCHEMBL8077107 0.90 F10 (0.39) F10SLC9A1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8076894 0.87 KMT2A (0.36) F10KDM4EALDH1A1
SCHEMBL8088434 0.87 S100A4 (0.37) F10KDM4EALDH1A1SMN1; SMN2
SCHEMBL9732430 0.86 F10 (0.32) F10
SCHEMBL8088427 0.86 MAPT (0.33) SLC9A1KDM4EALDH1A1
SCHEMBL8084217 0.84 ALOX5 (0.40) KDM4EALDH1A1SMN1; SMN2
SCHEMBL10521128 0.83 KDM4E (0.36) F10KDM4EALDH1A1
SCHEMBL8090664 0.82 MAPT (0.46) KDM4EALDH1A1SMN1; SMN2
SCHEMBL8077274 0.81 F10 (0.39) F10SLC9A1KDM4EALDH1A1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6153627-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-28 US disclosed
US-6040308-A Chroman derivatives MERCK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-21 US disclosed
US-5387587-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed
US-5013853-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-05-07 US disclosed
EP-0340718-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1989-11-08 EP disclosed