SCHEMBL29923741

SCHEMBL29923741

Cc1cc(O)c2cc(Br)ccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
GAA P10253 2/20 0.55
KDM4E B2RXH2 2/20 0.55
MAPT P10636 2/20 0.48
ATM Q13315 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTT P42858 2/20 0.46
MPO P05164 1/20 0.46
RXFP1 Q9HBX9 4/20 0.45
PRNP P04156 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CASP3 P42574 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 4/20 0.43
PPARG P37231 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43

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
SCHEMBL4966064 1.00 ALDH1A1 (0.55) ALDH1A1GAAKDM4EMAPTATM
SCHEMBL15054414 0.85 MPO (0.46) ALDH1A1GAAKDM4EMAPTATM
SCHEMBL3760247 0.81 LMNA (0.61) ALDH1A1GAAKDM4EMAPTTDP1
SCHEMBL15724648 0.81 CYP1A2 (0.57) ALDH1A1GAAKDM4EMAPTATM
SCHEMBL30048942 0.81 CYP1A2 (0.57) ALDH1A1GAAKDM4EMAPTATM
SCHEMBL6089328 0.81 HTT (0.44) ALDH1A1GAAKDM4EMAPTATM
SCHEMBL4748554 0.78 POLB (0.53) ALDH1A1KDM4EHTTMPOKMT2A
SCHEMBL3906125 0.78 GAA (0.47) ALDH1A1GAAKDM4EATMMPO
SCHEMBL4966407 0.78 LMNA (0.68) ALDH1A1GAAKDM4EMAPTATM
SCHEMBL3642253 0.78 LMNA (0.41) ALDH1A1GAAKDM4ECYP1A2KMT2A

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-4522616-A1 LRRK2 INHIBITORS Interline Therapeutics, Inc. (US) 2025-03-19 EP disclosed
WO-2023220247-A1 LRRK2 INHIBITORS INTERLINE THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
EP-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 EP disclosed