SCHEMBL9804700

SCHEMBL9804700

FC(F)(Cl)Oc1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP2A6 P11509 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ CA5A P35218 1/20 0.33
▸ LDHA P00338 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ WDR5 P61964 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ ABL1 P00519 3/20 0.32

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
SCHEMBL220074 0.80 MAPT (0.47) ALDH1A1CYP2A6MAPTCHRNA7WDR5
SCHEMBL28539048 0.78 PPARA (0.45) ALDH1A1CYP2A6MAPTCA1CA2
SCHEMBL30056405 0.78 MAPT (0.45) ALDH1A1CYP2A6MAPTCHRNA7WDR5
SCHEMBL7469958 0.78 MAPT (0.45) ALDH1A1CYP2A6MAPTCHRNA7WDR5
SCHEMBL23664134 0.76 ACHE (0.44) ALDH1A1MAPTCA1CA2CA9
SCHEMBL4323037 0.76 CYP2A6 (0.38) ALDH1A1CYP2A6MAPTCA1CA2
Bromide SCHEMBL28835122 0.76 MAPT (0.44) ALDH1A1CYP2A6MAPTCHRNA7WDR5
SCHEMBL4320295 0.76 CYP2A6 (0.38) ALDH1A1CYP2A6MAPTCA1CA2
SCHEMBL1230294 0.76 CYP2A6 (0.38) ALDH1A1CYP2A6MAPTCA1CA2
Bromide SCHEMBL28835121 0.76 MAPT (0.44) ALDH1A1CYP2A6MAPTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3924336-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2021-12-22 — — EP disclosed
CN-113710656-A Substituted bicyclic compounds as farnesoid X receptor modulators 百时美施贵宝公司 2021-11-26 — — CN disclosed
WO-2020168143-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-20 — — WO disclosed
EP-0244328-B1 PROCESS FOR THE PREPARATION OF AROMATIC ALDEHYDES RHONE-POULENC CHIMIE (FR) 1991-04-10 — — EP disclosed
US-4990657-A From an aromatic halide without a phase transfer agent RHONE-POULENC CHIMIE (FR) 1991-02-05 — — US disclosed
US-4978801-A Preparation of aromatic aldehydes RHONE-POULENC CHIMIE (FR) 1990-12-18 — — US disclosed
EP-0255794-B1 PROCESS FOR PREPARING AN AROMATIC ACID RHONE-POULENC CHIMIE (FR) 1990-11-07 — — EP disclosed
US-4942240-A REACTION OF HYDROGEN AND CARBON MONOXIDE WITH AN AROMATIC HALIDE IN THE PRESENCE OF A NOBLE METAL CATALYSTS RHONE-POULENC CHIMIE (FR) 1990-07-17 — — US disclosed
EP-0244329-A2 Process for the preparation of aromatic aldehydes RHONE-POULENC CHIMIE (FR) 1987-11-04 — — EP disclosed
EP-0244328-A2 Process for the preparation of aromatic aldehydes RHONE-POULENC CHIMIE (FR) 1987-11-04 — — EP disclosed
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