SCHEMBL29673296

SCHEMBL29673296

COc1ccc(CSc2cc(Br)ccc2CN)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP2E1 P05181 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 2/20 0.43
APP P05067 1/20 0.42
IDO1 P14902 2/20 0.41
MAOB P27338 4/20 0.41
CKS1B P61024 1/20 0.40
SKP2 Q13309 1/20 0.40
MAOA P21397 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL13457191 0.83 CYP1A2 (0.45) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL29070081 0.77 MAOB (0.63) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL10687383 0.75 APP (0.58) CYP3A4TSHRAPPIDO1MAOB
SCHEMBL13457196 0.75 ALDH1A1 (0.43) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL9507201 0.74 APP (0.46) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL19297784 0.73 APP (0.49) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL9508531 0.71 SLC6A4 (0.51) CYP2D6TSHRAPPIDO1MAOB
SCHEMBL17926791 0.71 CYP1A2 (0.46) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL9507453 0.70 IDO1 (0.45) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL31011604 0.70 APP (0.49) TSHRAPPIDO1MAOBMAOA

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-4244213-A1 COMPOUNDS AND USES THEREOF Foghorn Therapeutics Inc. (US) 2023-09-20 EP disclosed
WO-2022103899-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2022-05-19 WO disclosed