SCHEMBL28485102

SCHEMBL28485102

CC(N)(CN)c1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.52
LOXL2 Q9Y4K0 2/20 0.47
EPHX2 P34913 1/20 0.43
CYP2A6 P11509 2/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP19A1 P11511 3/20 0.40
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
PTPN5 P54829 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL17423807 0.81 LOXL2 (0.52) KIF11LOXL2CYP2A6ALDH1A1CYP19A1
SCHEMBL156260 0.79 KIF11 (0.59) KIF11LOXL2EPHX2CYP2A6ALDH1A1
SCHEMBL830941 0.78 KIF11 (0.46) KIF11LOXL2EPHX2CYP2A6ALDH1A1
SCHEMBL23428971 0.77 KIF11 (0.44) KIF11LOXL2EPHX2CYP2A6ALDH1A1
SCHEMBL7025558 0.75 KIF11 (0.55) KIF11LOXL2EPHX2CYP2A6ALDH1A1
SCHEMBL7025554 0.75 KIF11 (0.55) KIF11LOXL2EPHX2CYP2A6ALDH1A1
SCHEMBL8479151 0.75 KIF11 (0.55) KIF11LOXL2EPHX2CYP2A6ALDH1A1
SCHEMBL541668 0.73 KIF11 (0.48) KIF11LOXL2EPHX2CYP2A6ALDH1A1
SCHEMBL69655 0.73 KIF11 (0.86) KIF11LOXL2EPHX2CYP2A6ALDH1A1
SCHEMBL2998724 0.73 KIF11 (0.64) KIF11LOXL2EPHX2CYP2A6ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111943930-B Synthesis process of Lasmidinan 南京三元阳普医药科技有限公司 2022-11-01 CN disclosed
CN-111943930-A Synthesis process of Lasmidinan 南京三元阳普医药科技有限公司 2020-11-17 CN disclosed