SCHEMBL29741085

SCHEMBL29741085

N#Cc1cnc2c(c1C(F)F)CCCC2O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
KMT2A Q03164 1/20 0.34
ACHE P22303 1/20 0.32
KDM1A O60341 1/20 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
SCHEMBL23782732 1.00 CYP11B1 (0.37) CYP11B1CYP11B2KMT2AACHEKDM1A
SCHEMBL23782896 0.80 CYP11B1 (0.40) CYP11B1CYP11B2KMT2AACHE
SCHEMBL23782944 0.78 AR (0.37) CYP11B1CYP11B2KMT2AACHE
SCHEMBL23783045 0.73 SMN1; SMN2 (0.35)
SCHEMBL29741180 0.73 KMT2A (0.43) CYP11B1CYP11B2KMT2AACHE
SCHEMBL18629818 0.72 CYP11B1 (0.37) CYP11B1CYP11B2KMT2A
SCHEMBL22889706 0.72 CYP11B1 (0.37) CYP11B1CYP11B2KMT2A
SCHEMBL10287385 0.69 UGT2B17 (0.42) CYP11B1CYP11B2ACHE
SCHEMBL18629715 0.69 CYP11B1 (0.37) CYP11B1CYP11B2
SCHEMBL23782933 0.69 CYP11B2 (0.33) CYP11B2

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-2022155419-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2022-07-21 WO disclosed