SCHEMBL30923104

SCHEMBL30923104

OCCc1c(F)cc2c(cnn2C2CCCCO2)c1Br

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.41
▸ CYP4A11 Q02928 2/20 0.41
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ PDE1A P54750 2/20 0.31
▸ PDE1B Q01064 2/20 0.31
▸ PDE1C Q14123 2/20 0.31
▸ ATR Q13535 2/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30
▸ PDE9A O76083 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
SCHEMBL30922592 0.94 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30922719 0.93 CYP4F2 (0.41) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30922422 0.87 CYP4F2 (0.41) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30922456 0.87 RXRA (0.41) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31040998 0.85 CYP4F2 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30922691 0.83 CYP4F2 (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30922464 0.81 RXRA (0.40) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30922698 0.81 CYP4F2 (0.40) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30922392 0.81 CYP4F2 (0.36) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL24274351 0.81 LMNA (0.43) CYP4F2CYP4A11RXRARXRBRXRG

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
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