SCHEMBL24340785

SCHEMBL24340785

COC(=O)c1ccc(C(=O)N(CCNCl)CCNI)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.41
▸ CYP4A11 Q02928 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ LOXL2 Q9Y4K0 1/20 0.40
▸ CYP4F2 P78329 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ LPAR1 Q92633 1/20 0.38
▸ LPAR5 Q9H1C0 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MGLL Q99685 1/20 0.37

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
SCHEMBL24340768 0.93 MAPT (0.46) MAPTCYP4A11CA1CA2TDP1
SCHEMBL26033083 0.86 LOXL2 (0.46) MAPTCYP4A11CA1CA2TDP1
SCHEMBL25835831 0.74 LOXL2 (0.56) MAPTCYP4A11CA1CA2TDP1
SCHEMBL25849724 0.72 LMNA (0.45) MAPTALDH1A1MEN1KMT2ALPAR1
SCHEMBL7669610 0.72 ALDH1A1 (0.61) MAPTCYP4A11CA1CA2TDP1
SCHEMBL24340866 0.71 CKS1B (0.43) MAPTCYP4A11CA1CA2TDP1
SCHEMBL28993944 0.67 CA1 (0.80) MAPTCYP4A11CA1CA2TDP1
SCHEMBL23600 0.67 CA1 (0.80) MAPTCYP4A11CA1CA2TDP1
SCHEMBL457540 0.66 ALDH1A1 (0.61) MAPTCA1CA2TDP1CA12
SCHEMBL10273113 0.65 LOXL2 (0.61) MAPTCYP4A11CA1CA2TDP1

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-2022056273-A1 LIPID CONJUGATES FOR THE DELIVERY OF THERAPEUTIC AGENTS Arrowhead Pharmaceuticals, Inc. (US) 2022-03-17 — — WO disclosed
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