SCHEMBL16797044

SCHEMBL16797044

[CH2]c1cc(Br)c(OCc2ccc(OC)cc2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.49
▸ MAPT P10636 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ TUBB4A P04350 2/20 0.46
▸ TUBB P07437 2/20 0.46
▸ TUBA3C P0DPH7 2/20 0.46
▸ TUBA1B P68363 2/20 0.46
▸ TUBA4A P68366 2/20 0.46
▸ TUBB4B P68371 2/20 0.46
▸ TUBB3 Q13509 2/20 0.46
▸ TUBB2A Q13885 2/20 0.46
▸ TUBB8 Q3ZCM7 2/20 0.46
▸ TUBA3E Q6PEY2 2/20 0.46
▸ TUBA1A Q71U36 2/20 0.46
▸ TUBA1C Q9BQE3 2/20 0.46

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
SCHEMBL12772157 0.79 KMT2A (0.60) KMT2AMAPTMEN1LMNACYP1A2
SCHEMBL8862695 0.76 HTR1A (0.49) KMT2AMAPTMEN1GAAALDH1A1
SCHEMBL1616051 0.75 TSHR (0.50) MAPTCYP3A4TUBB4ATUBBTUBA3C
SCHEMBL16797057 0.74 NPC1 (0.45) KMT2AMAPTMEN1GAAALDH1A1
SCHEMBL3629871 0.73 NPC1 (0.59) KMT2AMAPTMEN1LMNACYP1A2
SCHEMBL5205439 0.73 TNFRSF1A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16800856 0.73 SCN8A (0.49) LMNAAPPALDH1A1TDP1MAOB
SCHEMBL3237857 0.72 MAOB (0.55) MAPTALDH1A1TNFRSF1ATHRBMAOB
SCHEMBL3631073 0.72 TUBB4A (0.50) KMT2AMAPTMEN1LMNACYP1A2
SCHEMBL18397169 0.72 ALDH1A1 (0.54) KMT2AMAPTMEN1LMNACYP1A2

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-3080108-A1 TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS Genzyme Corporation (US) 2016-10-19 — — EP disclosed
WO-2015089139-A1 TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS GENZYME CORPORATION (US) 2015-06-18 — — WO disclosed
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