SCHEMBL31616016

SCHEMBL31616016

CCN1CCN(c2ccc(C(=O)OC(C)(C)C)cc2N)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.57
▸ KDM4E B2RXH2 6/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ HSD17B10 Q99714 3/20 0.50
▸ GAA P10253 4/20 0.46
▸ POLB P06746 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ SIRT2 Q8IXJ6 4/20 0.45
▸ SIRT1 Q96EB6 4/20 0.45
▸ SIRT3 Q9NTG7 4/20 0.45
▸ NR4A1 P22736 1/20 0.45
▸ RAD52 P43351 1/20 0.45
▸ GFER P55789 1/20 0.45

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
SCHEMBL17302721 0.86 KDM4E (0.68) PRMT1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL17302719 0.84 KDM4E (0.75) PRMT1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL27591250 0.82 KDM4E (0.56) PRMT1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL17302722 0.82 NPC1 (0.61) PRMT1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL31616073 0.81 ALDH1A1 (0.56) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL14334861 0.79 KDM4E (0.67) PRMT1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6628031 0.78 KDM4E (0.47) PRMT1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8071690 0.77 HTR7 (0.54) PRMT1NPC1
SCHEMBL103154 0.77 KDM4E (0.67) PRMT1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL31615949 0.77 KDM4E (0.67) PRMT1KDM4ENPC1RAB9ASMN1; SMN2

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-2025120168-A1 SULFONAMIDE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CRYPTOSPORIDIUM INFECTIONS INSTITUT NATIONAL DE RECHERCHE POUR L'AGRICULTURE, L'ALIMENTATION ET L'ENVIRONNEMENT (INRAE) (FR) 2025-06-12 — — WO disclosed
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