SCHEMBL19894167

SCHEMBL19894167

c1cnc(-c2ccc3ccc4cccc5ccc2c3c45)c(-c2ccc3ccc4cccc5ccc2c3c45)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.41
▸ THRB P10828 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ TSHR P16473 3/20 0.41
▸ CCR1 P32246 2/20 0.41
▸ CCR5 P51681 2/20 0.41
▸ CCR8 P51685 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ GMNN O75496 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ ALOX15 P16050 1/20 0.41

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
SCHEMBL29151793 0.87 TGFBR1 (0.44) TDP1THRBMEN1BLMKMT2A
SCHEMBL12268978 0.84 TDP1 (0.37) TDP1THRBMEN1BLMKMT2A
SCHEMBL12268970 0.84 TDP1 (0.37) TDP1THRBMEN1BLMKMT2A
SCHEMBL12269159 0.83 TDP1 (0.39) TDP1THRBMEN1BLMKMT2A
SCHEMBL12268994 0.83 TDP1 (0.39) TDP1THRBMEN1BLMKMT2A
SCHEMBL4745967 0.83 CYP1A2 (0.42) TDP1THRBMEN1BLMKMT2A
SCHEMBL15497843 0.81 CCR1 (0.57) TDP1MEN1KMT2ACYP3A4TSHR
SCHEMBL29413360 0.79 ALDH1A1 (0.61) TDP1THRBMEN1KMT2ACYP3A4
SCHEMBL29814212 0.79 ALDH1A1 (0.61) TDP1THRBMEN1KMT2ACYP3A4
SCHEMBL2124728 0.79 ALDH1A1 (0.61) TDP1THRBMEN1KMT2ACYP3A4

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
EP-3286787-A1 ELECTRON TRANSPORT LAYER AND FILM HAVING IMPROVED THERMAL STABILITY Rohm and Haas Electronic Materials LLC (US) 2018-02-28 — — EP disclosed
CN-105612628-A Charge-transporting varnish NISSAN CHEMICAL IND LTD 2016-05-25 — — CN disclosed
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