SCHEMBL24549253

SCHEMBL24549253

Cn1c(Cl)nc2ccc(C(F)(F)F)cc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ KIF11 P52732 1/20 0.49
▸ PDE2A O00408 11/20 0.47
▸ PDE10A Q9Y233 7/20 0.45
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ PDE7A Q13946 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ S1PR1 P21453 1/20 0.40

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
SCHEMBL1748120 0.87 SMN1; SMN2 (0.53) SMN1; SMN2KIF11PDE2APDE10ACYP1A2
SCHEMBL15727582 0.81 KDM4E (0.50) KIF11PDE2APDE10APDE7ABACE1
SCHEMBL30039988 0.81 KDM4E (0.50) KIF11PDE2APDE10APDE7ABACE1
SCHEMBL11872026 0.78 S1PR1 (0.45) KIF11CYP2C19S1PR1
SCHEMBL2634929 0.77 SMN1; SMN2 (0.58) SMN1; SMN2PDE2APDE10A
SCHEMBL28285676 0.76 KDM4E (0.55) SMN1; SMN2KIF11PDE2APDE10APDE7A
SCHEMBL8451109 0.75 CNR2 (0.49) SMN1; SMN2PDE2APDE10ACYP1A2CYP2D6
SCHEMBL175367 0.74 MEN1 (0.57) KIF11PDE2APDE10ACYP2C19PDE7A
SCHEMBL28712778 0.74 KIF11 (0.40) KIF11PDE2APDE10ACYP1A2CYP2D6
SCHEMBL4539855 0.74 SMN1; SMN2 (0.58) SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115768761-B Novel benzimidazole derivatives 卡尔那生物科学株式会社 2025-02-25 — — CN disclosed
CN-115768761-A Novel benzimidazole derivatives 卡尔那生物科学株式会社 2023-03-07 — — CN disclosed
WO-2022133098-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2022-06-23 — — WO disclosed
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