SCHEMBL30922836

SCHEMBL30922836

O=C[C@@H]1C[C@@H]1c1c(Cl)cc2c(cnn2C2CCCCO2)c1Br

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ RET P07949 2/20 0.33
▸ CYP4F2 P78329 2/20 0.31
▸ CYP4A11 Q02928 2/20 0.31
▸ DGAT2 Q96PD7 1/20 0.30

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
SCHEMBL30922420 1.00 RXRA (0.35) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL31691699 0.91 RXRA (0.35) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL30922537 0.88 CYP4F2 (0.37) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL31527282 0.86 RXRA (0.37) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL31127821 0.86 RXRA (0.37) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL24535801 0.86 RXRA (0.37) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL31127844 0.86 RXRA (0.37) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL31643015 0.86 RXRA (0.37) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL31127777 0.86 RXRA (0.37) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL31642882 0.86 RXRA (0.37) RXRARXRBRXRGALDH1A1LMNA

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-4598921-A1 MACROCYCLIC KRAS INHIBITORS AND METHODS OF USE Amgen Inc. (US) 2025-08-13 — — EP disclosed
WO-2024107686-A1 MACROCYCLIC KRAS INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2024-05-23 — — WO disclosed
Send feedback