SCHEMBL23536231

SCHEMBL23536231

CCc1cc(F)c(N2CCC(C(=O)O)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.42
GPR174 Q9BXC1 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SERPINE1 P05121 4/20 0.41
RHOA P61586 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL23536098 0.81 TP53 (0.44) POLBCYP2C9CYP2C19ALDH1A1TP53
SCHEMBL23536173 0.81 TP53 (0.44) POLBCYP2C9CYP2C19ALDH1A1TP53
SCHEMBL23536308 0.78 TP53 (0.42) POLBCYP2C9CYP2C19ALDH1A1TP53
SCHEMBL30977058 0.73 MAPT (0.50) POLBCYP2C9CYP2C19TDP1MAPT
SCHEMBL23536339 0.72 ALDH1A1 (0.40) POLBCYP2C9CYP2C19ALDH1A1TP53
SCHEMBL6501188 0.70 TDP1 (0.60) POLBCYP2C9CYP2C19TDP1MAPT
SCHEMBL23536283 0.70 MCOLN2 (0.44) MAPTALDH1A1TP53SMN1; SMN2KMT2A
SCHEMBL4403596 0.69 TDP1 (0.74) POLBCYP2C9CYP2C19TDP1MAPT
SCHEMBL2559246 0.69 TDP1 (0.63) POLBCYP2C9CYP2C19TDP1MAPT
SCHEMBL23536097 0.68 MAPT (0.58) POLBTDP1MAPTALDH1A1GPR174

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
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed