SCHEMBL9756475

SCHEMBL9756475

Ic1ccc2ccccc2c1-c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.46
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 3/20 0.44
CYP2A6 P11509 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
DHFR P00374 1/20 0.42
PTPN1 P18031 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALPL P05186 1/20 0.42
GAA P10253 1/20 0.42
TYMP P19971 1/20 0.41
HPRT1 P00492 1/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
WDR5 P61964 1/20 0.38
GPR84 Q9NQS5 1/20 0.38

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
SCHEMBL17500083 0.86 PTPN22 (0.44) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL28483698 0.82 DNMT1 (0.46) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL33523810 0.79 CES1 (0.42) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL29202921 0.79 CES1 (0.42) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL29787010 0.78 DNMT1 (0.59) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL10533759 0.78 KDM4E (0.44) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL196007 0.78 DNMT1 (0.59) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL29410608 0.78 DNMT1 (0.59) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL702934 0.77 ALDH1A1 (0.50) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL29407412 0.77 ALDH1A1 (0.50) DNMT1ALDH1A1HSD17B10CYP2A6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991012223-A1 PROCESS FOR DEHYDROHALOGENATING AROMATIC HALIDES EASTMAN KODAK COMPANY (US) 1991-08-22 WO disclosed
EP-0442236-A1 Process for dehydrohalogenating aromatic halides EASTMAN KODAK COMPANY (US) 1991-08-21 EP disclosed
CN-1043929-A The method of dehydrohalogenating aromatic halides EASTMAN KODAK CO (US) 1990-07-18 CN disclosed
US-4925998-A RECOVERING HALIDE, GROUP 8 METAL CATALYST EASTMAN KODAK COMPANY (US) 1990-05-15 US disclosed