SCHEMBL11652542

SCHEMBL11652542

CCOc1ccc(S(=O)(=O)O)cc1N.Cc1cccc(N(CCC#N)Cc2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ LIMK1 P53667 2/20 0.37
▸ LIMK2 P53671 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ TP53 P04637 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
SCHEMBL11657237 0.90 ALDH1A1 (0.43) KMT2AALDH1A1RAB9ANPC1HTT
SCHEMBL11655597 0.78 ALDH1A1 (0.43) KMT2AALDH1A1HTTMEN1KDM4E
SCHEMBL11656022 0.78 GAA (0.40) KMT2AALDH1A1RAB9ANPC1HTT
SCHEMBL10946724 0.77 RAB9A (0.46) KMT2AALDH1A1RAB9ANPC1HTT
SCHEMBL11658806 0.76 KMT2A (0.43) KMT2AALDH1A1NPC1HTTMEN1
SCHEMBL11654490 0.76 KMT2A (0.48) KMT2AALDH1A1RAB9ANPC1HTT
SCHEMBL11656023 0.75 ALDH1A1 (0.36) KMT2AALDH1A1HTTMEN1CA12
SCHEMBL11681528 0.74 LIMK1 (0.41) KMT2AALDH1A1RAB9AHTTMEN1
SCHEMBL11655876 0.74 HSD17B10 (0.46) KMT2AALDH1A1RAB9ANPC1HTT
SCHEMBL11652670 0.72 TSHR (0.49) KMT2AALDH1A1RAB9ANPC1HTT

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
US-4124581-A FOR NATURAL AND SYNTHETIC FIBERS, COLORFAST BAYER AKTIENGESELLSCHAFT (DE) 1978-11-07 — — US disclosed
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