SCHEMBL8179296

SCHEMBL8179296

COC(=O)c1ccc(-c2nc(Cl)c3c(C)c(C)sc3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.49
▸ MAPT P10636 6/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ GAA P10253 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ DHODH Q02127 1/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ PRKCI P41743 3/20 0.41
▸ POLB P06746 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ ALOX5 P09917 1/20 0.40

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
SCHEMBL8170324 0.90 ALDH1A1 (0.49) KDM4EMAPTALDH1A1KMT2AGAA
SCHEMBL8170042 0.80 MAPT (0.43) KDM4EMAPTALDH1A1KMT2AGAA
SCHEMBL6762819 0.80 KMT2A (0.45) KDM4EMAPTALDH1A1KMT2AGAA
SCHEMBL8177925 0.78 POLB (0.55) KDM4EMAPTALDH1A1KMT2AGAA
SCHEMBL8179509 0.78 MAPT (0.46) KDM4EMAPTALDH1A1KMT2AGAA
SCHEMBL8178257 0.78 PRKCI (0.45) KDM4EMAPTALDH1A1KMT2AGAA
SCHEMBL5119506 0.77 PRKCI (0.57) KDM4EMAPTALDH1A1LMNAL3MBTL1
SCHEMBL8179294 0.77 CA1 (0.49) KDM4EMAPTALDH1A1KMT2AGAA
SCHEMBL8169989 0.76 KDM4E (0.53) KDM4EMAPTALDH1A1KMT2AGAA
SCHEMBL8169721 0.76 KDM4E (0.45) KDM4EMAPTALDH1A1KMT2AGAA

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
US-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 — — US disclosed
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