SCHEMBL18334155

SCHEMBL18334155

c1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4c(-c4ccc(-c5cc(-c6cnccn6)nc(-c6cnccn6)c5)c5ccccc45)c4ccccc34)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.41
▸ PIM1 P11309 2/20 0.41
▸ CYP19A1 P11511 1/20 0.38
▸ ALOX5AP P20292 2/20 0.35
▸ FEN1 P39748 2/20 0.35
▸ TNF P01375 1/20 0.34
▸ METAP2 P50579 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ PDE5A O76074 2/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ CYP11B1 P15538 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
SCHEMBL18334161 0.86 CYP19A1 (0.44) CYP3A4PIM1CYP19A1ALOX5APFEN1
SCHEMBL18334158 0.86 CCR1 (0.45) CYP3A4ALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL18334166 0.80 CYP19A1 (0.54) CYP3A4PIM1CYP19A1METAP2MEN1
SCHEMBL18334163 0.80 CCR1 (0.44) CYP3A4MEN1ALDH1A1CYP1A2CYP2C9
SCHEMBL18334157 0.78 CCR1 (0.42) CYP3A4ALDH1A1CYP2C9TSHR
SCHEMBL17755609 0.78 CYP19A1 (0.51) CYP3A4PIM1CYP19A1ALOX5APFEN1
SCHEMBL18334159 0.76 CCR1 (0.45) CYP3A4ALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL29482241 0.75 CYP19A1 (0.62) CYP3A4PIM1CYP19A1METAP2MEN1
SCHEMBL17755608 0.75 CYP19A1 (0.62) CYP3A4PIM1CYP19A1METAP2MEN1
SCHEMBL18675709 0.75 CCR1 (0.46) MEN1ALDH1A1CYP1A2TSHRKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160372524-A1 ORGANIC LIGHT EMITTING DISPLAY DEVICE LG DISPLAY CO., LTD. (KR) 2016-12-22 — — US disclosed
US-20160372524-A1 ORGANIC LIGHT EMITTING DISPLAY DEVICE LG DISPLAY CO., LTD. (KR) 2016-12-22 — — US disclosed
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