SCHEMBL31493404

SCHEMBL31493404

CCOC(=O)c1cc(N)cn1C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 9/20 0.46
MAPK1 P28482 2/20 0.46
TSHR P16473 2/20 0.45
LMNA P02545 3/20 0.43
ALOX15 P16050 2/20 0.43
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CASP3 P42574 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAOA P21397 1/20 0.40
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
WDR5 P61964 1/20 0.38
AKR1C3 P42330 1/20 0.38

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
SCHEMBL31493403 0.81 AR (0.47) KMT2AALDH1A1MAPK1TSHRLMNA
SCHEMBL1844382 0.79 NPC1 (0.46) KMT2AALDH1A1MAPK1CASP3POLB
SCHEMBL6819794 0.75 AR (0.45) KMT2AALDH1A1CASP3POLBMEN1
SCHEMBL7607398 0.75 LMNA (0.43) KMT2AALDH1A1LMNAALOX15CYP1A2
SCHEMBL5121029 0.74 RAB9A (0.49) KMT2AALDH1A1LMNAHSD17B10CYP1A2
SCHEMBL7474321 0.73 ALDH1A1 (0.47) KMT2AALDH1A1MAPK1TSHRLMNA
SCHEMBL1417324 0.73 LMNA (0.46) KMT2AALDH1A1MAPK1TSHRLMNA
SCHEMBL16344633 0.72 KMT2A (0.48) KMT2AALDH1A1MAPK1TSHRLMNA
SCHEMBL5118750 0.71 ADORA3 (0.44) ALDH1A1MAPK1TSHRLMNAHSD17B10
SCHEMBL25399863 0.70 KMT2A (0.46) KMT2AALDH1A1MAPK1TSHRLMNA

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-2025076236-A1 METHODS AND COMPOUNDS FOR MODULATING HUNTINGTON'S DISEASE Design Therapeutics, Inc. (US) 2025-04-10 WO disclosed