SCHEMBL23536213

SCHEMBL23536213

C[C@@H]1CN(C(=O)C2CCN(c3ccccc3N)CC2)C[C@H](C)O1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
MEN1 O00255 4/20 0.54
USP2 O75604 1/20 0.54
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.49
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
ADRA2C P18825 1/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 1/20 0.41
KEAP1 Q14145 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP46A1 Q9Y6A2 1/20 0.40
NOTUM Q6P988 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL3096165 0.81 MAPT (0.62) KMT2AMEN1SMN1; SMN2TSHRLMNA
SCHEMBL23536262 0.81 ALDH1A1 (0.53) KMT2AMEN1SMN1; SMN2TSHRLMNA
SCHEMBL29931992 0.81 ALDH1A1 (0.53) KMT2AMEN1SMN1; SMN2TSHRLMNA
SCHEMBL23536131 0.81 ALDH1A1 (0.55) KMT2AMEN1USP2GAASMN1; SMN2
SCHEMBL23379676 0.77 GAA (0.63) KMT2AMEN1USP2GAASMN1; SMN2
SCHEMBL3070877 0.76 KMT2A (0.56) KMT2AMEN1USP2GAASMN1; SMN2
SCHEMBL2771146 0.76 KMT2A (0.56) KMT2AMEN1USP2GAASMN1; SMN2
SCHEMBL3090131 0.76 KMT2A (0.56) KMT2AMEN1USP2GAASMN1; SMN2
SCHEMBL12082717 0.75 ALDH1A1 (0.50) KMT2AMEN1SMN1; SMN2TSHRKDM4E
SCHEMBL2077582 0.75 GAA (0.60) KMT2AMEN1USP2GAASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
CN-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 CN disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed