SCHEMBL7454585

SCHEMBL7454585

COc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1Br

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.77
HTR2B P41595 8/20 0.77
HPSE Q9Y251 1/20 0.55
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
IGF1R P08069 1/20 0.51
KDR P35968 4/20 0.50
PDGFRA P16234 3/20 0.50
GAK O14976 1/20 0.50
RIPK2 O43353 1/20 0.50
COQ8A Q8NI60 1/20 0.50
NLK Q9UBE8 1/20 0.50
GSK3A P49840 2/20 0.49
GSK3B P49841 2/20 0.49
MALT1 Q9UDY8 1/20 0.49
MAP4K4 O95819 2/20 0.49
PIM1 P11309 2/20 0.49
CDK2 P24941 2/20 0.49
CLK2 P49760 2/20 0.49
CDK5 Q00535 2/20 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
Hydrochloric Acid SCHEMBL7660022 0.99 HTR2C (0.75) HTR2CHTR2BHPSEKDM4EMAPT
SCHEMBL7375771 0.90 HTR2C (0.81) HTR2CHTR2BKDM4EMAPTIGF1R
SCHEMBL7369676 0.88 HTR2C (0.78) HTR2CHTR2BKDM4EMAPTIGF1R
Hydrochloric Acid SCHEMBL7655770 0.87 HTR2C (0.77) HTR2CHTR2BIGF1RKDRPDGFRA
Hydrochloric Acid SCHEMBL7664592 0.86 HTR2C (0.98) HTR2CHTR2BKDM4EMAPTIGF1R
Hydrochloric Acid SCHEMBL7652249 0.86 HTR2C (0.75) HTR2CHTR2BIGF1RKDRPDGFRA
Hydrochloric Acid SCHEMBL7376632 0.85 HTR2C (0.74) HTR2CHTR2BKDM4EMAPTIGF1R
Hydrochloric Acid SCHEMBL7373000 0.85 HTR2C (0.74) HTR2CHTR2BKDM4EMAPTIGF1R
Hydrochloric Acid SCHEMBL7657753 0.83 HTR2C (0.71) HTR2CHTR2BIGF1RKDRGSK3A
Hydrochloric Acid SCHEMBL7654812 0.81 HTR2C (0.67) HTR2CHTR2BKDM4EMAPTKDR

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-1003737-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS HFGAN72 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-05-31 EP disclosed
WO-1999009024-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS HFGAN72 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-02-25 WO disclosed