SCHEMBL7598113

SCHEMBL7598113

Cc1ccccc1OCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.55
ADRA1D P25100 1/20 0.55
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.55
MAOB P27338 1/20 0.55
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
HSD17B10 Q99714 1/20 0.53
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
RECQL P46063 2/20 0.51
KMT2A Q03164 2/20 0.51
TDP1 Q9NUW8 2/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 7/20 0.49
HTT P42858 2/20 0.49
TSHR P16473 3/20 0.49

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
SCHEMBL10789091 0.87 NPC1 (0.68) HTR1AADRA1DADRA1AADRA1BMAOB
SCHEMBL17616586 0.85 NPC1 (0.53) HTR1AADRA1DADRA1AADRA1BMAOB
SCHEMBL17616635 0.85 MAOB (0.52) HTR1AADRA1DADRA1AADRA1BMAOB
SCHEMBL25394621 0.84 MAOB (0.59) HTR1AADRA1DADRA1AADRA1BMAOB
SCHEMBL16273698 0.84 MAOB (0.52) HTR1AADRA1DADRA1AADRA1BMAOB
SCHEMBL20425117 0.83 CCR5 (0.58) HTR1AADRA1DADRA1AADRA1BMAOB
SCHEMBL17616612 0.81 NPC1 (0.55) HTR1AADRA1DADRA1AADRA1BMAOB
SCHEMBL3359449 0.81 HTR1A (0.52) HTR1AADRA1DADRA1AADRA1BMAOB
SCHEMBL5594953 0.81 MAOB (0.55) HTR1AADRA1DADRA1AADRA1BMAOB
SCHEMBL16273706 0.80 MAOB (0.51) HTR1AADRA1DADRA1AADRA1BMAOB

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1099413-C Certain fused pyrrolecarboxanilides, new class of gaba brain receptor ligands NEUROGEN CORP (US) 2003-01-22 CN disclosed
EP-0624155-B2 CARBAMATES AND PLANT-PROTECTING AGENTS CONTAINING THEM BASF AG (DE) 2002-12-11 EP disclosed
US-6075148-A CARBAMATE DERIVATIVES ARE USEFUL FOR CONTROLLING FUNGI, INSECTS, NEMATODES AND SPIDER MITES BASF AKTIENGESELLSCHAFT (DE) 2000-06-13 US disclosed
US-5981532-A FOR CONTROLLING FUNGI, INSECTS, NEMATODES AND SPIDER MITES BASF AKTIENGESELLSCHAFT (DE) 1999-11-09 US disclosed
US-5824705-A FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-10-20 US disclosed
EP-0624155-B1 CARBAMATES AND PLANT-PROTECTING AGENTS CONTAINING THEM BASF AG (DE) 1998-05-06 EP disclosed
CN-1143953-A Certain fused pyrrolecarboxanilides, new class of gaba brain receptor ligands NEUROGEN CORP (US) 1997-02-26 CN disclosed
EP-0624155-A1 CARBAMATES AND PLANT-PROTECTING AGENTS CONTAINING THEM BASF Aktiengesellschaft (DE) 1994-11-17 EP disclosed
WO-1993015046-A1 CARBAMATES AND PLANT-PROTECTING AGENTS CONTAINING THEM BASF AKTIENGESELLSCHAFT (DE) 1993-08-05 WO disclosed