SCHEMBL8734936

SCHEMBL8734936

COC(=O)c1ccccc1-c1c[nH]c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 7/20 0.69
CREBBP Q92793 1/20 0.69
MAPT P10636 2/20 0.56
ALPL P05186 1/20 0.56
HTT P42858 1/20 0.56
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49
RAB9A P51151 1/20 0.49
PDE1C Q14123 1/20 0.49
PBRM1 Q86U86 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GPR84 Q9NQS5 2/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48

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
SCHEMBL5172246 0.87 NR4A2 (0.53) NR4A2CREBBPMAPTALPLHTT
SCHEMBL9846800 0.85 NR4A2 (0.68) NR4A2CREBBPMAPTALPLHTT
SCHEMBL27505706 0.84 PKM (0.57) NR4A2CREBBPRAB9AMEN1KMT2A
SCHEMBL1093530 0.82 NR4A2 (1.00) NR4A2CREBBPMAPTRAB9APBRM1
SCHEMBL30031033 0.82 NR4A2 (1.00) NR4A2CREBBPMAPTRAB9APBRM1
Hydrochloric Acid SCHEMBL28254334 0.81 NR4A2 (0.97) NR4A2CREBBPMAPTRAB9APBRM1
SCHEMBL30234471 0.81 MAPT (0.53) NR4A2MAPTCDK4CCND1PBRM1
SCHEMBL9272191 0.81 MAPT (0.53) NR4A2MAPTCDK4CCND1PBRM1
SCHEMBL20846298 0.80 MAP2K1 (0.70) NR4A2CREBBP
SCHEMBL30610297 0.80 MAP2K1 (0.70) NR4A2CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1025786-C Carbamoyl derivatives ICI PLC (GB) 1994-08-31 CN claimed
CN-1053604-A CARBAMOYL DERIVATIVES ICI PLC (GB) 1991-08-07 CN claimed
EP-0809622-A4 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC (US) 1998-07-08 EP disclosed
EP-0809622-A1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC. (US) 1997-12-03 EP disclosed
WO-1996025383-A1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC. (US) 1996-08-22 WO disclosed
CN-1025786-C Carbamoyl derivatives ICI PLC (GB) 1994-08-31 CN disclosed
CN-1053604-A CARBAMOYL DERIVATIVES ICI PLC (GB) 1991-08-07 CN disclosed
CN-1030910-A ALIPHATIC CARBOXAMIDEX ICI AMERICA INC (US) 1989-02-08 CN disclosed