SCHEMBL27010012

SCHEMBL27010012

N#Cc1ccc(-c2cc(C(=O)N3CCCNCC3)sc2-c2ccc(N3CCCC3)cc2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.52
KDM1A O60341 17/20 0.51
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL27005451 0.90 MAPK14 (0.47) MAPK14KDM1ACYP11B1CYP11B2
SCHEMBL27005453 0.90 MAPK14 (0.47) MAPK14KDM1ACYP11B1CYP11B2
SCHEMBL27005189 0.90 MAPK14 (0.47) MAPK14KDM1ACYP11B1CYP11B2
SCHEMBL27004944 0.85 KDM1A (0.61) MAPK14KDM1ACYP11B1CYP11B2
SCHEMBL27005356 0.84 KDM1A (0.58) KDM1A
SCHEMBL27010007 0.84 KDM1A (0.53) MAPK14KDM1ACYP11B1CYP11B2PDE4A
SCHEMBL27005431 0.81 KDM1A (0.60) KDM1A
SCHEMBL27005812 0.81 KDM1A (0.63) MAPK14KDM1ACYP11B1CYP11B2PDE4A
SCHEMBL27004945 0.81 KDM1A (0.56) MAPK14KDM1A
SCHEMBL27005539 0.78 KDM1A (0.51) KDM1ACYP11B1CYP11B2

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
EP-4306520-A1 THIOPHENE COMPOUND AND APPLICATION THEREOF Medshine Discovery Inc. (CN) 2024-01-17 EP disclosed