SCHEMBL27005774

SCHEMBL27005774

Cc1cc(-c2ccc(C#N)c(F)c2)c(-c2ccc3c(c2)OCO3)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.48
MAPT P10636 6/20 0.43
HSD17B10 Q99714 4/20 0.43
ALOX15 P16050 3/20 0.43
HTT P42858 1/20 0.43
PTGS2 P35354 2/20 0.40
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 6/20 0.39
GAA P10253 4/20 0.39
HPGD P15428 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
ALOX12 P18054 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL27005770 0.84 KDM1A (0.49) KDM1AMAPTHSD17B10ALOX15HTT
SCHEMBL27005050 0.80 ESR1 (0.48) MAPTCYP11B1CYP11B2EPAS1
SCHEMBL27005607 0.78 KDM1A (0.47) KDM1ACYP11B1CYP11B2
SCHEMBL27006151 0.76 EGLN2 (0.39) CYP11B1CYP11B2
SCHEMBL27009752 0.75 CYP11B1 (0.45) KDM1APTGS2CYP11B1CYP11B2
SCHEMBL27005844 0.74 CYP11B1 (0.45) CYP11B1CYP11B2
SCHEMBL27005847 0.74 KDM1A (0.50) KDM1ACYP11B1CYP11B2EPAS1GSK3B
SCHEMBL27005741 0.72 KDM1A (0.47) KDM1ACYP11B1CYP11B2EPAS1
SCHEMBL27010074 0.72 KDM1A (0.37) KDM1APTGS2CYP11B1CYP11B2EPAS1
SCHEMBL27006058 0.72 CYP11B2 (0.45) CYP11B1CYP11B2

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