SCHEMBL31672392

SCHEMBL31672392

C=CC(=O)N1CCN(C(=O)c2ccc(O)cc2-c2ccccc2Cl)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.45
▸ KMT2A Q03164 1/20 0.42
▸ HSP90AA1 P07900 2/20 0.42
▸ HSP90AB1 P08238 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KRAS P01116 2/20 0.41
▸ ACHE P22303 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ MGLL Q99685 1/20 0.40
▸ PDK1 Q15118 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ PDK3 Q15120 1/20 0.39
▸ PDK4 Q16654 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ KLF5 Q13887 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ BTK Q06187 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
SCHEMBL17800762 1.00 RAB9A (0.45) RAB9AKMT2AHSP90AA1HSP90AB1LMNA
SCHEMBL31672338 0.90 RAB9A (0.45) RAB9AKMT2AHSP90AA1LMNATP53
SCHEMBL17800759 0.90 RAB9A (0.45) RAB9AKMT2AHSP90AA1LMNATP53
SCHEMBL16117911 0.83 HSP90AA1 (0.51) RAB9AHSP90AA1KRASACHERXFP1
SCHEMBL16101856 0.83 HSP90AA1 (0.48) RAB9AHSP90AA1LMNATP53ALOX15
SCHEMBL31672384 0.82 RAB9A (0.44) RAB9AKMT2AHSP90AA1LMNATP53
SCHEMBL17608599 0.82 RAB9A (0.44) RAB9AKMT2AHSP90AA1LMNATP53
SCHEMBL16117901 0.80 HSP90AA1 (0.44) RAB9AHSP90AA1KRASACHE
SCHEMBL31672343 0.80 RAB9A (0.44) RAB9AKMT2AHSP90AA1LMNAKRAS
SCHEMBL17800761 0.80 RAB9A (0.44) RAB9AKMT2AHSP90AA1LMNAKRAS

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
US-RE50527-E1 Covalent inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2025-08-12 — — US disclosed
Send feedback