SCHEMBL25112508

SCHEMBL25112508

NCc1cccc2c(F)coc12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.37
PNMT P11086 3/20 0.35
TAAR1 Q96RJ0 1/20 0.35
MPO P05164 3/20 0.34
SLC6A4 P31645 3/20 0.34
IDO1 P14902 2/20 0.33
LOXL2 Q9Y4K0 3/20 0.32
CYP2A6 P11509 1/20 0.32
DPP4 P27487 1/20 0.31

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
SCHEMBL25248388 0.87 TAAR1 (0.47) TAAR1MPOSLC6A4CYP2A6
Hydrochloric Acid SCHEMBL25390767 0.86 TAAR1 (0.46) MAOBTAAR1MPOSLC6A4IDO1
SCHEMBL31426239 0.83 MAOB (0.37) MAOBIDO1
SCHEMBL25004730 0.81 GABRA1 (0.42)
SCHEMBL27390138 0.75 ALDH1A1 (0.42)
SCHEMBL31426265 0.72 BACE1 (0.36) IDO1
SCHEMBL16126075 0.71 CYP2A6 (0.42) MAOBCYP2A6
SCHEMBL31426304 0.71 LOXL2 (0.33) LOXL2
SCHEMBL25019378 0.71 GSK3B (0.30)
SCHEMBL15345559 0.70 TAAR1 (0.46) MAOBPNMTTAAR1MPOSLC6A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4148056-A1 SOS1 INHIBITOR CONTAINING PHOSPHORUS CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-03-15 EP disclosed