SCHEMBL9217252

SCHEMBL9217252

CCOC(=O)NC1(c2ccccc2Cl)C(=O)Nc2c1cc(Cl)cc2S(=O)(=O)c1ccc(N)cc1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
ALDH1A1 P00352 4/20 0.33
ADCY8 P40145 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
APP P05067 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
PKM P14618 1/20 0.32
ATM Q13315 1/20 0.31
GHSR Q92847 1/20 0.31
RAPGEF3 O95398 1/20 0.31
MAPT P10636 4/20 0.31
GAA P10253 2/20 0.31
KDM4E B2RXH2 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
SCHEMBL9219603 0.93 ACLY (0.33) GHSRRAPGEF3GAAACLY
SCHEMBL9218306 0.89 ACLY (0.33) GHSRRAPGEF3GAAACLY
SCHEMBL9221306 0.83 IDH1 (0.34) GHSRMAPTGAAKDM4EACLY
SCHEMBL9211589 0.82 MAPT (0.37) HTTALDH1A1LMNASMN1; SMN2GHSR
SCHEMBL9217189 0.80 ABCC9 (0.34) HTTALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL9217235 0.78 NPSR1 (0.35) HTTALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL7471248 0.78 AVPR1B (0.42) HTTTSHRMAPTCYP3A4
SCHEMBL9212844 0.78 THRB (0.33) HTTALDH1A1ADCY8LMNATSHR
SCHEMBL9222097 0.77 NPSR1 (0.34) HTTALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL9220670 0.76 ROCK2 (0.36) LMNATSHRACLY

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
EP-0687251-A1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI (FR) 1995-12-20 EP disclosed