SCHEMBL9822902

SCHEMBL9822902

CNS(=O)(=O)c1cc2c(c(C(=O)NC(CC3=CCCCC3)C3CCCN3)c1)OC(C)C2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.31
LMNA P02545 3/20 0.30
TP53 P04637 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL9822751 0.89 ALDH1A1 (0.31) ALDH1A1
Methane SCHEMBL9867070 0.88 ALDH1A1 (0.30) ALDH1A1
SCHEMBL9866808 0.88
SCHEMBL9822842 0.87 ALDH1A1 (0.31) ALDH1A1LMNATP53ALOX15TSHR
SCHEMBL9822707 0.87 TP53 (0.33) TP53
SCHEMBL10812102 0.87 PARP1 (0.32)
Hydrochloric Acid SCHEMBL10810418 0.87 PARP1 (0.32)
Hydrochloric Acid SCHEMBL10804235 0.86 PARP1 (0.32)
SCHEMBL10805978 0.83 POLR1A (0.37)
SCHEMBL10815005 0.81 PARP1 (0.33)

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