SCHEMBL22280328

SCHEMBL22280328

CCc1ccc(CNCc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
ANPEP P15144 1/20 0.53
ERAP2 Q6P179 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
DNM1 Q05193 1/20 0.46
EPHX2 P34913 5/20 0.45
NR1H4 Q96RI1 4/20 0.45

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
SCHEMBL20902781 0.91 CA1 (0.65) CA1CA2ANPEPERAP2MEN1
SCHEMBL338386 0.87 BCHE (0.52) LMNA
SCHEMBL3969937 0.85 CA1 (0.54) CA1CA2ANPEPERAP2MEN1
SCHEMBL4396092 0.84 LMNA (0.77) LMNAMEN1KMT2AALDH1A1NPSR1
SCHEMBL25381118 0.83 CA1 (0.58) CA1CA2ANPEPERAP2MEN1
SCHEMBL3959831 0.82 MEN1 (0.63) LMNACA1CA2ANPEPERAP2
SCHEMBL12952776 0.82 CA1 (0.56) LMNACA1CA2ANPEPERAP2
SCHEMBL4029852 0.82 LMNA (0.62) LMNACA1CA2ANPEPERAP2
SCHEMBL10223555 0.82 CA1 (0.54) CA1CA2ANPEPERAP2KMT2A
SCHEMBL12829576 0.81 CA1 (0.57) CA1CA2ANPEPERAP2MEN1

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-2020154431-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY LYNCH KEVIN R (US) 2020-07-30 WO disclosed