SCHEMBL7160203

SCHEMBL7160203

C=C(F)Cn1cnc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.61
▸ KDM4E B2RXH2 1/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ CYP11B1 P15538 2/20 0.54
▸ CYP11B2 P19099 2/20 0.54
▸ TNF P01375 1/20 0.54
▸ EGLN3 Q9H6Z9 1/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ LMNA P02545 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ HTT P42858 2/20 0.51
▸ ALPL P05186 2/20 0.51
▸ ALPG P10696 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ ALPI P09923 1/20 0.51
▸ PLAA Q9Y263 1/20 0.51
▸ MAPK1 P28482 1/20 0.50

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
SCHEMBL2882482 0.84 TDP1 (0.59) TDP1KDM4ENPC1CYP11B1CYP11B2
SCHEMBL7732690 0.84 TDP1 (0.59) TDP1KDM4ENPC1CYP11B1CYP11B2
SCHEMBL26818584 0.84 KDM4E (0.60) TDP1KDM4ENPC1CYP11B1CYP11B2
SCHEMBL8017568 0.81 TDP1 (0.56) TDP1KDM4ENPC1CYP11B1CYP11B2
SCHEMBL11498670 0.80 KDM4E (0.56) TDP1KDM4ENPC1CYP11B1CYP11B2
SCHEMBL27864830 0.80 TDP1 (0.63) TDP1KDM4ENPC1CYP11B1CYP11B2
SCHEMBL1035783 0.79 EGLN3 (0.71) TDP1KDM4ENPC1CYP11B1CYP11B2
SCHEMBL1038315 0.77 KDM4E (0.69) TDP1KDM4ENPC1CYP11B1CYP11B2
SCHEMBL11460254 0.77 KDM4E (0.65) TDP1KDM4ENPC1CYP11B1CYP11B2
SCHEMBL10881570 0.77 KDM4E (0.65) TDP1KDM4ENPC1EGLN3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828487-B1 AGENTS FOR USE AGAINST PARASITIC PROTOZOA BAYER AG (DE) 2003-11-26 — — EP disclosed
EP-0828487-A1 AGENTS FOR USE AGAINST PARASITIC PROTOZOA BAYER AG (DE) 1998-03-18 — — EP disclosed
WO-1996038140-A1 AGENTS FOR USE AGAINST PARASITIC PROTOZOA BAYER AKTIENGESELLSCHAFT (DE) 1996-12-05 — — WO disclosed
US-4649042-A SUSTAINED RELEASE, DRUGS, GLYCOLIC ACID-LACTIC ACID COPOLYMER CORE, TUBES, ELASTICITY, SEALS ELI LILLY AND COMPANY (US) 1987-03-10 — — US disclosed
EP-0211489-A2 Derivatives of 2-fluoroalkylbenzimidazole, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1987-02-25 — — EP disclosed
EP-0164241-A2 Improvements in or relating to a rumen delivery device ELI LILLY AND COMPANY (US) 1985-12-11 — — EP disclosed
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