SCHEMBL24147174

SCHEMBL24147174

CNN/C(=C\N)CCc1ccc(C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.45
▸ CYP2A6 P11509 1/20 0.40
▸ SAE1 Q9UBE0 1/20 0.38
▸ UBA2 Q9UBT2 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ KCNJ1 P48048 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ IDO1 P14902 2/20 0.36
▸ FFAR1 O14842 2/20 0.36
▸ CA12 O43570 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ IDH1 O75874 1/20 0.35
▸ CA3 P07451 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35

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
SCHEMBL24146697 0.74 LOXL2 (0.47) LOXL2CYP2A6TSHRHSD17B10KCNJ1
SCHEMBL6170108 0.70 LOXL2 (0.52) LOXL2CYP2A6SAE1UBA2TSHR
SCHEMBL1507376 0.67 ALDH1A1 (0.57) LOXL2CYP2A6SAE1UBA2TSHR
SCHEMBL5315290 0.67 FFAR1 (0.50) LOXL2CYP2A6SAE1UBA2KCNJ1
SCHEMBL1338556 0.67 CYP11B1 (0.60) LOXL2CYP2A6SAE1UBA2IDO1
SCHEMBL1004267 0.67 LOXL2 (0.64) LOXL2CYP2A6SAE1UBA2TSHR
SCHEMBL7338789 0.67 FFAR1 (0.53) LOXL2CYP2A6SAE1UBA2TSHR
SCHEMBL5193367 0.67 LOXL2 (0.67) LOXL2CYP2A6SAE1UBA2TSHR
SCHEMBL10355508 0.66 CA2 (0.73) LOXL2CYP2A6TSHRHSD17B10KCNJ1
SCHEMBL2339110 0.65 CYP2A6 (0.52) LOXL2CYP2A6SAE1UBA2TSHR

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-2021263060-A2 BIFUNCTIONAL BRIDGING COMPOSITIONS FOR VIRAL TRANSDUCTION LYCIA THERAPEUTICS, INC. (US) 2021-12-30 — — WO disclosed
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