SCHEMBL24327309

SCHEMBL24327309

CCOc1cc(I)c(C)cc1I

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.36
▸ KDM4E B2RXH2 6/20 0.35
▸ MAPT P10636 5/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TSHR P16473 4/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ BPTF Q12830 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL12062694 0.89 LMNA (0.41) LMNAKDM4EMAPTALDH1A1HSD17B10
SCHEMBL28211459 0.84 TSHR (0.47) LMNAKDM4EMAPTALDH1A1HSD17B10
SCHEMBL13171441 0.79 THRA (0.44) LMNAMAPTMEN1KMT2ACYP3A4
SCHEMBL5531032 0.76 POLB (0.37) LMNAKDM4EMAPTALDH1A1HSD17B10
SCHEMBL28639005 0.75 TSHR (0.45) LMNAKDM4EMAPTALDH1A1HSD17B10
SCHEMBL5531158 0.75 HTR2A (0.46) LMNAMAPTPOLBTSHRCYP3A4
SCHEMBL24313567 0.74 L3MBTL1 (0.40) LMNAKDM4EMAPTALDH1A1HSD17B10
SCHEMBL19410967 0.74 KDM4E (0.44) LMNAKDM4EMAPTALDH1A1HSD17B10
SCHEMBL4599327 0.74 HTT (0.39) LMNAKDM4EMAPTALDH1A1HSD17B10
SCHEMBL14293824 0.72 MAPT (0.47) KDM4EMAPTALDH1A1HSD17B10HPGD

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-2022063106-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEIGENE, LTD. (KY) 2022-03-31 — — WO disclosed
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