SCHEMBL18174890

SCHEMBL18174890

CCCC[C@H](C)c1ccnc2oc3ccccc3c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 6/20 0.44
▸ EGFR P00533 5/20 0.44
▸ FLT4 P35916 4/20 0.44
▸ KDR P35968 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CDC25A P30304 1/20 0.35
▸ CDC25B P30305 1/20 0.35
▸ CDC25C P30307 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ UTS2R Q9UKP6 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NQO1 P15559 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL18174894 0.81 NQO1 (0.38) CDC25ACDC25BCDC25CNPC1RAB9A
SCHEMBL24626620 0.72 NQO1 (0.42) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL19565806 0.71 LMNA (0.43) FAAHMGLLSMN1; SMN2LMNA
SCHEMBL18174884 0.71 NPC1 (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2NQO1
SCHEMBL20309049 0.71 LMNA (0.43) FAAHMGLLSMN1; SMN2LMNA
SCHEMBL18174892 0.71 NPSR1 (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2NQO1
SCHEMBL7971757 0.70 IGF1R (0.54) IGF1REGFRFLT4KDRALDH1A1
SCHEMBL2510823 0.68 NQO1 (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2NQO1
SCHEMBL20244030 0.67 LOXL2 (0.43) ALDH1A1KDM4EUTS2RCYP1A2CYP3A4
SCHEMBL18015457 0.67 IGF1R (0.55) IGF1REGFRFLT4KDRALDH1A1

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-9478758-B1 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-10-25 — — US disclosed
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