SCHEMBL20683210

SCHEMBL20683210

CCCCc1ccc(N(c2ccc(-c3cccc(N)c3)cc2)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ MMP2 P08253 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ CYP17A1 P05093 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAOA P21397 1/20 0.37
▸ PTGES O14684 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ HSD11B1 P28845 1/20 0.36
▸ F9 P00740 1/20 0.36

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
SCHEMBL3146748 0.85 KCNH2 (0.51) KCNH2RAB9ASMN1; SMN2NPC1TP53
SCHEMBL7654592 0.85 KCNH2 (0.51) KCNH2RAB9ASMN1; SMN2NPC1TP53
SCHEMBL1091891 0.84 CYP19A1 (0.53) MMP2MMP3CYP17A1CYP3A4CYP19A1
SCHEMBL19499906 0.83 KCNH2 (0.46) CYP19A1KCNH2PTGESALOX5HSD11B1
SCHEMBL20059342 0.83 KCNH2 (0.49) KCNH2RAB9ASMN1; SMN2NPC1TP53
SCHEMBL12752951 0.81 KCNH2 (0.56) KCNH2SMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL7655510 0.81 KCNH2 (0.56) KCNH2SMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL19265606 0.81 HSD11B1 (0.49) KCNH2TSHRPTGESALOX5HSD11B1
SCHEMBL13483862 0.78 MAOA (0.59) CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2
SCHEMBL8671388 0.77 RARB (0.49) CYP3A4RAB9ASMN1; SMN2NPC1TP53

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-10193069-B2 Polymer for use in organic electroluminescent element and organic electroluminescent element employing same NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2019-01-29 — — US disclosed
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