SCHEMBL11844367

SCHEMBL11844367

CCCCCCCc1cccc(Cl)c1NC(=N)NC(=N)N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 1/20 0.38
▸ BID P55957 3/20 0.36
▸ MCL1 Q07820 3/20 0.36
▸ PPARA Q07869 3/20 0.36
▸ BCL2L1 Q07817 2/20 0.36
▸ BAK1 Q16611 2/20 0.36
▸ KAT8 Q9H7Z6 2/20 0.36
▸ PPARG P37231 2/20 0.36
▸ EP300 Q09472 1/20 0.36
▸ KAT2A Q92830 1/20 0.36
▸ KAT2B Q92831 1/20 0.36
▸ KAT5 Q92993 1/20 0.36
▸ SAE1 Q9UBE0 1/20 0.36
▸ PLK1 P53350 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ ALOX5 P09917 2/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 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
SCHEMBL11835524 1.00 LIPG (0.38) LIPGBIDMCL1PPARABCL2L1
SCHEMBL11839275 0.99 HTT (0.36) LIPGBIDMCL1PPARABCL2L1
SCHEMBL11659898 0.95 HTT (0.37) LIPGHTTALOX5PTGS2MEN1
SCHEMBL11660957 0.90 TAAR1 (0.35) HTTPTGS2SMN1; SMN2CYP3A4
SCHEMBL11661761 0.84 CACNA1C (0.43) HTTPTGS2SMN1; SMN2ALOX15TSHR
Hydrochloric Acid SCHEMBL11836746 0.83 CACNA1C (0.43) HTTPTGS2SMN1; SMN2ALOX15TSHR
SCHEMBL11272026 0.82 CACNA1C (0.44) BIDMCL1BCL2L1BAK1HTT
SCHEMBL11137128 0.82 GAA (0.41) HTTMEN1KMT2A
SCHEMBL11659893 0.82 CACNA1C (0.45) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL11661996 0.81 MEN1 (0.38) HTTMEN1KMT2ASMN1; SMN2MAPT

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-3959488-A 1-Substituted biguanides for treating hyperacidity or ulceration WILLIAM H. RORER, INC. (US) 1976-05-25 — — US disclosed
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