SCHEMBL9822751

SCHEMBL9822751

CC1Cc2cc(S(=O)(=O)CC3CC3)cc(C(=O)NC(CC3=CCCCC3)C3CCCN3)c2O1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31

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
Methane SCHEMBL9867070 0.99 ALDH1A1 (0.30) ALDH1A1
SCHEMBL9866808 0.98
SCHEMBL9822902 0.89 ALDH1A1 (0.31) ALDH1A1
SCHEMBL9868152 0.88 PARP1 (0.32)
SCHEMBL9822707 0.86 TP53 (0.33)
SCHEMBL9822880 0.82 PARP1 (0.32)
Hydrochloric Acid SCHEMBL9869193 0.81 PARP1 (0.32)
SCHEMBL9822695 0.80 SMN1; SMN2 (0.32) ALDH1A1
SCHEMBL10369470 0.77 SMN1; SMN2 (0.32) ALDH1A1
Hydrochloric Acid SCHEMBL10807994 0.77 BRD4 (0.37)

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
EP-0231139-B1 DIHYDROBENZOFURANE AND CHROMANE CARBOXAMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS NEUROLEPTICS Laboratoires DELAGRANGE (FR) 1991-12-04 EP claimed
US-5006570-A Dihydrobenzofuran- and chroman-carboxamide derivatives, processes for the preparation thereof and use thereof as neuroleptics LABORATOIRES DELAGRANGE (FR) 1991-04-09 US disclosed