SCHEMBL24021638

SCHEMBL24021638

CCc1nnc(SCC(=O)Nc2nnc(-c3ccc(OC)cc3)s2)n1C(C)CC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.53
▸ ALDH1A1 P00352 6/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ HPGD P15428 2/20 0.52
▸ TSHR P16473 1/20 0.51
▸ MAPT P10636 3/20 0.51
▸ RXFP1 Q9HBX9 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ RAB9A P51151 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ THRB P10828 1/20 0.49
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ TP53 P04637 1/20 0.47

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
SCHEMBL19538744 0.86 LMNA (0.67) LMNAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL19520585 0.85 ALDH1A1 (0.68) LMNAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL19538809 0.82 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1SMN1; SMN2HPGD
SCHEMBL19520353 0.82 ALDH1A1 (0.59) LMNAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL19520349 0.82 LMNA (0.53) LMNAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL19520405 0.81 ALDH1A1 (0.56) LMNAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL19520375 0.81 ALDH1A1 (0.55) LMNAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL19520410 0.79 TSHR (0.64) LMNAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL19520586 0.79 TSHR (0.52) LMNAALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL19549073 0.79 MAPT (0.71) LMNAALDH1A1KMT2ASMN1; SMN2HPGD

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
EP-3448853-B1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2021-11-17 — — EP disclosed
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