SCHEMBL29246754

SCHEMBL29246754

O=C(Cc1ccccc1)Nc1ccc(NCc2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.73
PRMT1 Q99873 1/20 0.64
RAB9A P51151 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
ALDH1A1 P00352 2/20 0.62
MAPT P10636 2/20 0.62
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
NPC1 O15118 3/20 0.60
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA5A P35218 1/20 0.60
CA7 P43166 1/20 0.60
CA9 Q16790 1/20 0.60
CA14 Q9ULX7 1/20 0.60
CA5B Q9Y2D0 1/20 0.60
BCHE P06276 1/20 0.60
ACHE P22303 1/20 0.60
FFAR1 O14842 2/20 0.59

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
SCHEMBL1516167 0.85 EPHX2 (1.00) EPHX2PRMT1RAB9ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL27735879 0.83 EPHX2 (0.96) EPHX2PRMT1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5447986 0.82 FFAR1 (0.84) RAB9ASMN1; SMN2ALDH1A1CA1CA2
SCHEMBL9478851 0.82 EPHX2 (0.85) EPHX2PRMT1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4420812 0.82 EPHX2 (0.79) EPHX2PRMT1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13290702 0.82 EPHX2 (0.79) EPHX2PRMT1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5175200 0.82 EPHX2 (0.79) EPHX2PRMT1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10054999 0.81 EPHX2 (0.92) EPHX2PRMT1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL18601428 0.81 KMT2A (0.68) EPHX2PRMT1RAB9AALDH1A1MAPT
SCHEMBL18415584 0.81 PTPN1 (0.71) RAB9AALDH1A1MAPTMEN1KMT2A

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
CN-118084710-A Kv7 potassium ion channel opener, and pharmaceutical composition and application thereof 青岛海枢康制药有限公司 2024-05-28 CN disclosed