SCHEMBL14610056

SCHEMBL14610056

Fc1ccc(-n2nnc3ccccc32)c(F)c1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 1/20 0.54
▸ RAB9A P51151 1/20 0.46
▸ MGAM O43451 3/20 0.45
▸ AMY1A P0DUB6 3/20 0.45
▸ GAA P10253 3/20 0.45
▸ SI P14410 3/20 0.45
▸ MGAM2 Q2M2H8 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ SLC9A1 P19634 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ KEAP1 Q14145 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 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
SCHEMBL23694613 0.82 KCNMA1 (0.47) KCNMA1RAB9AMGAMAMY1AGAA
SCHEMBL25021088 0.78 KCNMA1 (0.55) KCNMA1RAB9AMGAMAMY1AGAA
SCHEMBL25020407 0.78 KCNMA1 (0.55) KCNMA1RAB9AGAASMN1; SMN2ESR1
SCHEMBL25873809 0.76 KCNMA1 (0.50) KCNMA1RAB9AMGAMAMY1AGAA
SCHEMBL25873798 0.76 KCNMA1 (0.50) KCNMA1RAB9AMGAMAMY1AGAA
SCHEMBL19970064 0.76 KCNMA1 (0.47) KCNMA1RAB9ASMN1; SMN2ESR1POLB
SCHEMBL24492760 0.75 KCNMA1 (0.49) KCNMA1RAB9AMGAMAMY1AGAA
SCHEMBL15445028 0.74 KCNMA1 (0.55) KCNMA1RAB9AMGAMAMY1AGAA
SCHEMBL26907914 0.74 KCNMA1 (0.42) KCNMA1RAB9AMGAMAMY1AGAA
SCHEMBL18703939 0.74 GRM2 (0.52) KCNMA1RAB9AGAASMN1; SMN2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007022529-A2 METHOD OF TREATING INFLAMMATORY DISEASES ARRAY BIOPHARMA INC. (US) 2007-02-22 — — WO disclosed
Send feedback