SCHEMBL21779696

SCHEMBL21779696

CC(C)c1ccc2c(c1)NCC(C)(C)O2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
GFER P55789 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HDAC4 P56524 2/20 0.34
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
TRPA1 O75762 1/20 0.30
PTGS1 P23219 1/20 0.30
CACNA1C Q13936 1/20 0.30

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
SCHEMBL17027084 0.87 HPGD (0.40) HPGDGFERHSD17B10KDM4ETP53
SCHEMBL430140 0.78 HSD17B10 (0.50) HPGDHSD17B10KDM4EHDAC4MAPT
SCHEMBL10176875 0.77 ALOX15 (0.36) KDM4EHDAC4
SCHEMBL3792647 0.77 KDM4E (0.38) KDM4EHDAC4MAPTLMNA
SCHEMBL3586235 0.77 MAPT (0.49) HSD17B10KDM4EHDAC4MAPTSMN1; SMN2
SCHEMBL21004970 0.74 KDM4E (0.36) HPGDHSD17B10KDM4EHDAC4
SCHEMBL10226457 0.74 PARP1 (0.48) HPGDKDM4EHDAC4TP53SMN1; SMN2
SCHEMBL9147420 0.73 MAPT (0.39) HPGDHSD17B10KDM4EHDAC4MAPT
SCHEMBL69977 0.73 MAPT (0.40) HPGDGFERHSD17B10TP53MAPT
SCHEMBL9145032 0.72 KDM4E (0.38) KDM4EHDAC4SMN1; SMN2PTGS1

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
WO-2023116774-A1 COMPOUND CONTAINING BIS(AZANYLYLIDENE) SULFONYL STRUCTURE AND USE THEREOF IN MEDICINE 赛诺哈勃药业(成都)有限公司 2023-06-29 WO disclosed
EP-3483164-B1 PYRROLOPYRROLE COMPOSITIONS AS PYRUVATE KINASE (PKR) ACTIVATORS FORMA THERAPEUTICS INC (US) 2020-03-04 EP disclosed