SCHEMBL24031808

SCHEMBL24031808

NSc1ccc2c(c1)NCC1(CCCc3cc(Cl)ccc31)CO2

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 17/20 0.42
CCND1 P24385 1/20 0.39
KDM1A O60341 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
BCL2L11 O43521 10/20 0.37

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
SCHEMBL25813892 0.84 MCL1 (0.42) MCL1CCND1KDM1ASIGMAR1BCL2L11
SCHEMBL22894800 0.84 MCL1 (0.42) MCL1CCND1KDM1ASIGMAR1BCL2L11
SCHEMBL25670137 0.84 MCL1 (0.42) MCL1CCND1SIGMAR1BCL2L11
SCHEMBL24461727 0.84 MCL1 (0.42) MCL1CCND1KDM1ASIGMAR1BCL2L11
SCHEMBL29414585 0.84 MCL1 (0.42) MCL1CCND1KDM1ASIGMAR1BCL2L11
SCHEMBL30261895 0.82 MCL1 (0.41) MCL1CCND1KDM1ASIGMAR1BCL2L11
SCHEMBL21930487 0.82 MCL1 (0.41) MCL1CCND1KDM1ASIGMAR1BCL2L11
SCHEMBL22975900 0.82 MCL1 (0.47) MCL1CCND1SIGMAR1BCL2L11
SCHEMBL24461875 0.82 MCL1 (0.40) MCL1CCND1KDM1ASIGMAR1BCL2L11
SCHEMBL17542338 0.81 MCL1 (0.58) MCL1CCND1BCL2L11

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-2021231737-A1 SPIRO-SULFONAMIDE DERIVATIVES AS INHIBITORS OF MYELOID CELL LEUKEMIA-1 (MCL-1) PROTEIN PRELUDE THERAPEUTICS, INCORPORATED (US) 2021-11-18 WO disclosed