SCHEMBL23536212

SCHEMBL23536212

COc1ccc(CNc2nc(C3CCN(c4ccc(Cl)cc4F)CC3)nn2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.47
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
USP2 O75604 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
P2RX3 P56373 2/20 0.39
PDE2A O00408 2/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL29932070 1.00 HRH4 (0.47) HRH4MAPTMEN1KMT2ALMNA
SCHEMBL29931841 0.79 HRH4 (0.43) HRH4MAPTMEN1KMT2ALMNA
SCHEMBL23536446 0.79 HRH4 (0.43) HRH4MAPTMEN1KMT2ALMNA
SCHEMBL29931890 0.75 DRD4 (0.42) HRH4LMNAALDH1A1POLB
SCHEMBL23536504 0.75 DRD4 (0.42) HRH4LMNAALDH1A1POLB
SCHEMBL29932027 0.71 ALDH1A1 (0.41) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL23536545 0.65 ALDH1A1 (0.52) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL23536198 0.65 GRM2 (0.40) HRH4LMNAALDH1A1POLB
SCHEMBL31342403 0.64 MAPK1 (0.46) MAPK1P2RX3
SCHEMBL31342401 0.64 MAPK1 (0.46) MAPK1P2RX3

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
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