SCHEMBL5530787

SCHEMBL5530787

Cc1c(Cl)cccc1CC=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PNMT P11086 2/20 0.38
P2RX7 Q99572 9/20 0.37
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL28022828 0.81 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ATDP1PNMT
SCHEMBL7499718 0.80 GABRA1 (0.46) ALDH1A1MEN1KMT2ATDP1PNMT
SCHEMBL13263824 0.79 GABRA1 (0.43) MEN1KMT2A
SCHEMBL3364100 0.79 ESR1 (0.41) ALDH1A1P2RX7MAPT
SCHEMBL6194272 0.79 PNMT (0.56) ALDH1A1MEN1KMT2ATDP1PNMT
SCHEMBL168712 0.79 IDO1 (0.50) ALDH1A1MEN1KMT2ATDP1PNMT
SCHEMBL30801131 0.79 IDO1 (0.50) ALDH1A1MEN1KMT2ATDP1PNMT
SCHEMBL3789998 0.79 ALDH1A1 (0.48) ALDH1A1PNMTP2RX7LMNAHPGD
SCHEMBL11563142 0.77 ALDH1A1 (0.39) ALDH1A1PNMTP2RX7LMNAHPGD
SCHEMBL11006111 0.77 ALDH1A1 (0.46) ALDH1A1PNMTP2RX7LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4358963-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2024-05-01 EP disclosed
WO-2022271679-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2022-12-29 WO disclosed
EP-4076418-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2022-10-26 EP disclosed
WO-2021127429-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2021-06-24 WO disclosed
EP-3166937-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF Celgene Corporation (US) 2017-05-17 EP disclosed
WO-2016007848-A1 ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF CELGENE CORPORATION (US) 2016-01-14 WO disclosed
EP-1751124-A2 RAF MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-02-14 EP disclosed
WO-2005112932-A2 RAF MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-12-01 WO disclosed