SCHEMBL3835993

SCHEMBL3835993

CCOc1ccc2c(c1)C(CC)(c1ccccc1Cl)C(=O)N2S(=O)(=O)c1ccc(C(=O)NC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.43
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 2/20 0.39
RECQL P46063 2/20 0.39
GNRHR P30968 3/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PAX8 Q06710 1/20 0.35

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
SCHEMBL3233628 0.90 AVPR1A (0.43) AVPR1AALDH1A1KDM4EHPGDMAPT
SCHEMBL3230306 0.83 HTT (0.43) AVPR1AALDH1A1KDM4EHPGDMAPT
SCHEMBL3230218 0.83 ALDH1A1 (0.40) AVPR1AALDH1A1KDM4EHPGDMAPT
SCHEMBL3236849 0.82 AVPR1A (0.45) AVPR1AALDH1A1MAPTRECQLLMNA
SCHEMBL3235051 0.82 AVPR1A (0.43) AVPR1AALDH1A1KDM4EHPGDMAPT
SCHEMBL3235527 0.82 GNRHR (0.39) AVPR1AALDH1A1KDM4EHPGDMAPT
SCHEMBL3226270 0.82 GNRHR (0.39) AVPR1AALDH1A1KDM4EHPGDMAPT
SCHEMBL3234537 0.82 AVPR1A (0.45) AVPR1AALDH1A1KDM4EHPGDMAPT
SCHEMBL3228428 0.82 AVPR1A (0.43) AVPR1AALDH1A1HPGDMAPTRECQL
SCHEMBL3234028 0.82 GNRHR (0.39) AVPR1AALDH1A1MAPTRECQLGNRHR

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-2097374-A2 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY AS SELECTIVE LIGANDS OF V2 VASOPRESSIN RECEPTORS Sanofi-Aventis (FR) 2009-09-09 EP claimed
WO-2008087278-A2 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY AS SELECTIVE LIGANDS OF V2 VASOPRESSIN RECEPTORS SANOFI-AVENTIS (FR) 2008-07-24 WO claimed