SCHEMBL8457566

SCHEMBL8457566

FC(F)(F)COCCn1[c]nc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ ATM Q13315 1/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ MAPT P10636 2/20 0.31

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
SCHEMBL7981886 0.81 KDM4E (0.49) SMN1; SMN2LMNAKDM4EALDH1A1RAB9A
SCHEMBL27454948 0.78 CNR2 (0.34) —
SCHEMBL28050378 0.75 TDP1 (0.36) SMN1; SMN2LMNAKDM4EL3MBTL1ATM
SCHEMBL27426157 0.73 SMN1; SMN2 (0.40) SMN1; SMN2LMNAKDM4EATMMAPK1
SCHEMBL5000372 0.73 MAPT (0.38) SMN1; SMN2ATMMAPK1POLBALDH1A1
SCHEMBL1828029 0.72 SLC9A1 (0.47) SMN1; SMN2LMNAKDM4EL3MBTL1MAPK1
SCHEMBL28147308 0.72 SLC9A1 (0.41) SMN1; SMN2LMNAATMMAPK1POLB
SCHEMBL27400199 0.72 KDM4E (0.38) KDM4EATMMAPK1POLBALDH1A1
SCHEMBL27380231 0.71 CYP1A2 (0.41) SMN1; SMN2LMNAKDM4EL3MBTL1ATM
SCHEMBL28034903 0.71 HPGD (0.40) SMN1; SMN2LMNAKDM4EPOLBNPC1

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-0888336-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL-AMINO)P IPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1999-01-07 — — EP disclosed
WO-1997030989-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 — — WO disclosed
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