SCHEMBL29567191

SCHEMBL29567191

CC(C)CCn1ccc(Oc2cc(-c3ccccc3)nc(NS(=O)(=O)c3ccccc3)n2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.46
▸ TSHR P16473 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ ADORA1 P30542 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HSD11B1 P28845 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ LARS1 Q9P2J5 1/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ GLA P06280 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
SCHEMBL24309708 0.83 MAPT (0.44) MAPTTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL26807008 0.76 MAPT (0.47) MAPTTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL26806813 0.75 MAPT (0.61) MAPTTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL26810968 0.74 MAPT (0.44) MAPTTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL26806984 0.73 MAPT (0.55) MAPTTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL26806972 0.73 TSHR (0.57) MAPTTSHRSMN1; SMN2KDM4EALDH1A1
SCHEMBL24310288 0.73 TSHR (0.57) MAPTTSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL29567077 0.73 TSHR (0.57) MAPTTSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL26806947 0.73 MAPT (0.55) MAPTTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL24309689 0.73 MAPT (0.47) MAPTTSHRSMN1; SMN2MEN1KMT2A

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
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
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