SCHEMBL9384191

SCHEMBL9384191

NC(=O)c1ncccc1-c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.48
TGFBR1 P36897 2/20 0.47
KDM4E B2RXH2 6/20 0.45
LMNA P02545 3/20 0.45
CCR1 P32246 2/20 0.45
CCR5 P51681 2/20 0.45
CCR8 P51685 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
METAP1 P53582 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45
DOHH Q9BU89 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
TGFBR2 P37173 1/20 0.44
CHEK2 O96017 1/20 0.43
MKNK1 Q9BUB5 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
IKBKB O14920 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL4560363 0.85 MKNK1 (0.50) KDM4ECYP1A2BLMMKNK1MKNK2
SCHEMBL30661057 0.84 KDM4E (0.46) GRM5TGFBR1KDM4ELMNACCR1
SCHEMBL9405123 0.84 KDM4E (0.53) KDM4ELMNACCR1CCR5CCR8
SCHEMBL22616671 0.84 KDM4E (0.46) GRM5TGFBR1KDM4ELMNACCR1
Oxalic Acid SCHEMBL30661054 0.83 GRM5 (0.41) GRM5TGFBR1KDM4ELMNACCR1
Acetic Acid SCHEMBL30661059 0.82 BRD4 (0.43) GRM5TGFBR1KDM4ELMNACCR1
Hydrochloric Acid SCHEMBL30661064 0.82 KDM4E (0.45) GRM5TGFBR1KDM4ELMNACCR1
Bromide SCHEMBL30661063 0.82 KDM4E (0.45) GRM5TGFBR1KDM4ELMNACCR1
Hydrochloric Acid SCHEMBL30661066 0.82 KDM4E (0.45) GRM5TGFBR1KDM4ELMNACCR1
SCHEMBL30665069 0.81 CA1 (0.42) GRM5TGFBR1KDM4ELMNACCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0389189-B1 Diazepine antiallergy agents PFIZER LTD (GB) 1994-05-18 EP claimed
US-5008263-A Platelet activating factor antagonists; antiallergens; antiinflammatory agents PFIZER INC. (US) 1991-04-16 US claimed
EP-0389189-A2 Diazepine antiallergy agents Pfizer Limited (GB) 1990-09-26 EP claimed
CN-107108568-B Pesticidally active amide heterocyclic derivatives with sulphur containing substituents 先正达参股股份有限公司 2021-08-10 CN disclosed
EP-0389189-B1 Diazepine antiallergy agents PFIZER LTD (GB) 1994-05-18 EP disclosed
US-5008263-A Platelet activating factor antagonists; antiallergens; antiinflammatory agents PFIZER INC. (US) 1991-04-16 US disclosed
EP-0389189-A2 Diazepine antiallergy agents Pfizer Limited (GB) 1990-09-26 EP disclosed