SCHEMBL9921325

SCHEMBL9921325

Fc1cnc2ncnc(NCCc3ccc(Br)cc3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 10/20 0.55
▸ SLC29A1 Q99808 1/20 0.44
▸ NR2F2 P24468 1/20 0.44
▸ USP10 Q14694 1/20 0.43
▸ PIK3C3 Q8NEB9 1/20 0.43
▸ USP13 Q92995 1/20 0.43
▸ LMNA P02545 4/20 0.42
▸ MAPK1 P28482 4/20 0.42
▸ EGFR P00533 2/20 0.42
▸ APP P05067 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ CCNC P24863 2/20 0.41
▸ CDK8 P49336 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ TTBK1 Q5TCY1 2/20 0.41
▸ TTBK2 Q6IQ55 2/20 0.41

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
SCHEMBL9921323 0.88 HTT (0.52) HTTSLC29A1NR2F2LMNAMAPK1
SCHEMBL9921335 0.88 HTT (0.60) HTTSLC29A1NR2F2LMNAMAPK1
SCHEMBL9921422 0.85 HTT (0.50) HTTSLC29A1NR2F2LMNAMAPK1
SCHEMBL9921415 0.84 MAPT (0.59) HTTNR2F2LMNAMAPK1EGFR
SCHEMBL9921330 0.83 HTT (0.47) HTTSLC29A1NR2F2USP10PIK3C3
SCHEMBL9921423 0.82 HTT (0.47) HTTSLC29A1NR2F2LMNAMAPK1
SCHEMBL13171084 0.80 HTT (0.45) HTTSLC29A1NR2F2LMNAMAPK1
SCHEMBL9921336 0.78 HTT (0.46) HTTSLC29A1NR2F2USP10PIK3C3
SCHEMBL9921327 0.78 HTT (0.46) HTTSLC29A1USP10PIK3C3USP13
SCHEMBL13171094 0.75 GALR3 (0.38) HTTLMNAMAPTPOLBMEN1

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
WO-2012079079-A1 PRODUCTION OF INDUCED PLURIPOTENT STEM CELLS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-06-14 — — WO disclosed
WO-2011011522-A2 POTENT SMALL MOLECULE INHIBITORS OF AUTOPHAGY, AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-01-27 — — WO disclosed
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