SCHEMBL18533905

SCHEMBL18533905

C=C(/C=C\C(=C/C)N(c1ccccc1)c1ccc2ccccc2c1)c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(N(c8ccccc8)c8ccc9ccccc9c8)cc7)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 1/20 0.35
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ PTGES O14684 2/20 0.33
▸ ALOX5 P09917 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NR1H4 Q96RI1 1/20 0.30
▸ BACE1 P56817 1/20 0.30

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
SCHEMBL23586325 0.97 ESR1 (0.36) PIN1ESR1ESR2ALDH1A1LMNA
SCHEMBL12829856 0.87 MAPT (0.35) ALDH1A1ALOX5LMNAMEN1KMT2A
SCHEMBL22294815 0.87 MAPT (0.35) ALDH1A1ALOX5LMNAMEN1KMT2A
SCHEMBL19867987 0.86 ALDH1A1 (0.36) PIN1ESR1ESR2ALDH1A1PTGES
SCHEMBL13709429 0.85 ALDH1A1 (0.36) ESR1ESR2ALDH1A1LMNATP53
SCHEMBL18506199 0.84 MEN1 (0.34) ALDH1A1LMNATP53MEN1KMT2A
SCHEMBL22099639 0.83 — —
SCHEMBL19707096 0.81 LTB4R2 (0.35) LMNAMEN1KMT2A
SCHEMBL19311818 0.80 ALDH1A1 (0.36) ESR1ESR2ALDH1A1LMNATP53
SCHEMBL10065953 0.80 TRPM8 (0.35) ALDH1A1PTGESALOX5LMNAMEN1

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
EP-3133665-A1 ORGANIC ELECTROLUMINESCENT DEVICE Hodogaya Chemical Co., Ltd. (JP) 2017-02-22 — — EP disclosed
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