SCHEMBL30748588

SCHEMBL30748588

Clc1ccc2cc(Br)cc(I)c2n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.33
BACE1 P56817 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
PPARG P37231 1/20 0.32
RAB9A P51151 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
CYP2A6 P11509 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
SCHEMBL26650555 1.00 EGFR (0.33) EGFRBACE1KDM4EMAPTPPARG
SCHEMBL7264434 0.77 NQO2 (0.44) EGFRBACE1KDM4EMAPTPPARG
SCHEMBL2170889 0.77 BACE1 (0.36) EGFRBACE1KDM4EMAPTPPARG
SCHEMBL26650884 0.74 EGFR (0.38) EGFRMAPTRXFP1TDP1
SCHEMBL31485307 0.74 EGFR (0.38) EGFRMAPTRXFP1TDP1
SCHEMBL31373528 0.73 NT5E (0.38) KDM4E
SCHEMBL26650721 0.73 SOS2 (0.41)
SCHEMBL26650704 0.73 NT5E (0.38) KDM4E
SCHEMBL31485298 0.73 SOS2 (0.41)
SCHEMBL31215731 0.73 MEN1 (0.35) EGFRKDM4EMAPTSMN1; SMN2TDP1

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
WO-2023217230-A1 KINESIN KIF18A INHIBITOR AND USE THEREOF 上海湃隆生物科技有限公司 2023-11-16 WO disclosed