SCHEMBL30401418

SCHEMBL30401418

CC(=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.64
LMNA P02545 5/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
ALDH1A1 P00352 4/20 0.64
NPSR1 Q6W5P4 3/20 0.64
RAB9A P51151 3/20 0.64
MAPK1 P28482 2/20 0.64
HPGD P15428 2/20 0.64
S1PR4 O95977 1/20 0.64
S1PR1 P21453 1/20 0.64
GPR35 Q9HC97 1/20 0.64
FBP1 P09467 1/20 0.54
KDM4E B2RXH2 3/20 0.53
NTSR1 P30989 1/20 0.49
POLB P06746 2/20 0.49
KMT2A Q03164 2/20 0.49
UBE2N P61088 1/20 0.49
EGFR P00533 2/20 0.49
ABL1 P00519 1/20 0.49
ABL2 P42684 1/20 0.49

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
SCHEMBL3064358 0.94 MAPT (0.66) MAPTLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL6802414 0.94 MAPT (0.72) MAPTLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL3064354 0.94 MAPT (0.66) MAPTLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL6802411 0.94 MAPT (0.72) MAPTLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL18331459 0.89 MAPT (0.54) MAPTLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL10975057 0.89 SMN1; SMN2 (0.63) MAPTLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL10975054 0.89 SMN1; SMN2 (0.63) MAPTLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL9513655 0.89 ALDH1A1 (0.54) MAPTLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL9513661 0.89 ALDH1A1 (0.54) MAPTLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL29198777 0.87 LMNA (0.52) MAPTLMNASMN1; SMN2ALDH1A1NPSR1

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-4392402-A1 SYNTHESIS ROUTES TO ACCESS MDMA PRODRUGS BY USING CONTROLLED AND NON-CONTROLLED INTERMEDIATES Mind Medicine, Inc. (US) 2024-07-03 EP disclosed
WO-2023028022-A1 SYNTHESIS ROUTES TO ACCESS MDMA PRODRUGS BY USING CONTROLLED AND NON-CONTROLLED INTERMEDIATES Mind Medicine, Inc. (US) 2023-03-02 WO disclosed