SCHEMBL7473790

SCHEMBL7473790

COCCCNC1(c2ccccc2Cl)C(=O)N(S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c2ccc(Cl)cc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
PTPN11 Q06124 2/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
MAPK1 P28482 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
NOTUM Q6P988 1/20 0.41
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
TRIM24 O15164 1/20 0.40

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
Water SCHEMBL8590384 0.99 LMNA (0.45) LMNAGAAALDH1A1HPGDSMN1; SMN2
Water SCHEMBL8743054 0.99 LMNA (0.45) LMNAGAAALDH1A1HPGDSMN1; SMN2
SCHEMBL7468186 0.94 ALDH1A1 (0.44) LMNAGAAALDH1A1HPGDPTPN11
SCHEMBL7467895 0.81 PTPN11 (0.41) PTPN11
Trifluoroacetic Acid SCHEMBL8590187 0.79 PTPN11 (0.39) PTPN11
SCHEMBL7466955 0.77 PTPN11 (0.37) LMNAALDH1A1PTPN11USP2TSHR
SCHEMBL7477081 0.76 GPR119 (0.49) ALDH1A1USP2TSHR
SCHEMBL7466247 0.75 PTPN11 (0.39) LMNAALDH1A1PTPN11USP2TSHR
Trifluoroacetic Acid SCHEMBL8742909 0.75 PTPN11 (0.35) LMNASMN1; SMN2PTPN11TSHRTP53
SCHEMBL9221623 0.74 ALDH1A1 (0.43) LMNAGAAALDH1A1HPGDSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0687251-B1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI SYNTHELABO (FR) 2002-02-27 EP disclosed
WO-1995018105-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) 1995-07-06 WO disclosed