SCHEMBL11652104

SCHEMBL11652104

COc1ccc(C=C(C#N)c2ccc(C(C#N)=Cc3ccc(OC)c4ccccc34)cc2)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 1/20 0.51
▸ IMPDH1 P20839 1/20 0.51
▸ CAPN1 P07384 1/20 0.48
▸ CTSL P07711 1/20 0.48
▸ CTSB P07858 1/20 0.48
▸ ABCB1 P08183 1/20 0.48
▸ MAPT P10636 7/20 0.47
▸ LMNA P02545 4/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ NQO2 P16083 2/20 0.47
▸ NQO1 P15559 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ THRB P10828 1/20 0.45
▸ GCGR P47871 1/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ TUBB4A P04350 1/20 0.44

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
SCHEMBL13485325 0.81 KMT2A (0.59) MAPTLMNASMN1; SMN2NQO2NQO1
SCHEMBL1957465 0.80 GCGR (0.48) ABCB1MAPTSMN1; SMN2L3MBTL1KDM4E
SCHEMBL1957467 0.80 GCGR (0.48) ABCB1MAPTSMN1; SMN2L3MBTL1KDM4E
SCHEMBL5613888 0.79 KDM4E (0.49) ABCB1MAPTSMN1; SMN2KDM4ETHRB
SCHEMBL5613889 0.79 KDM4E (0.49) ABCB1MAPTSMN1; SMN2KDM4ETHRB
SCHEMBL9097324 0.78 POLB (0.49) LMNASMN1; SMN2NQO2NQO1L3MBTL1
SCHEMBL9097327 0.78 POLB (0.49) LMNASMN1; SMN2NQO2NQO1L3MBTL1
SCHEMBL1388608 0.78 NQO2 (0.49) CAPN1CTSLCTSBMAPTLMNA
SCHEMBL1388607 0.78 NQO2 (0.49) CAPN1CTSLCTSBMAPTLMNA
SCHEMBL1959686 0.78 PDE4B (0.46) ABCB1MAPTSMN1; SMN2THRBTUBB4A

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-4082721-A 1,4-BIS(1-CYANO-CARBOCYCLIC-UNSATURATER HYDROCARBYL) DYE COMPOSITIONS U.S. PHILIPS CORPORATION (US) 1978-04-04 — — US disclosed
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