SCHEMBL17039383

SCHEMBL17039383

c1ccc2cc(-c3ccc(-c4nc(-n5c6ccccc6c6c7ccccc7ccc65)n5ccccc45)cc3)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD51 Q06609 9/20 0.35
▸ MAP2K3 P46734 1/20 0.34
▸ RAB9A P51151 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33
▸ TUBA1B P68363 1/20 0.33
▸ TUBA4A P68366 1/20 0.33
▸ TUBB4B P68371 1/20 0.33
▸ TUBB3 Q13509 1/20 0.33
▸ TUBB2A Q13885 1/20 0.33
▸ TUBB8 Q3ZCM7 1/20 0.33
▸ TUBA3E Q6PEY2 1/20 0.33
▸ TUBA1A Q71U36 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
SCHEMBL17039387 0.92 MEN1 (0.39) RAD51MAP2K3RAB9ANPC1POLB
SCHEMBL17039384 0.89 RAD51 (0.37) RAD51RAB9ANPC1POLBKDM4E
SCHEMBL17039396 0.87 MEN1 (0.35) RAD51MAP2K3POLBKDM4EALDH1A1
SCHEMBL17039391 0.86 ENPP3 (0.36) RAD51MAP2K3POLBKDM4EALDH1A1
SCHEMBL17039393 0.86 RAD51 (0.47) RAD51MAP2K3POLBKDM4EALDH1A1
SCHEMBL17039388 0.82 RAD51 (0.36) RAD51RAB9ANPC1POLBKDM4E
SCHEMBL17039406 0.81 ALDH1A1 (0.33) KDM4EALDH1A1MAPTSMN1; SMN2TUBB4A
SCHEMBL17039386 0.81 MEN1 (0.33) RAB9ANPC1POLBKDM4EALDH1A1
SCHEMBL17039390 0.79 HIF1A (0.31) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL17039371 0.79 MEN1 (0.46) RAD51MAP2K3RAB9ANPC1POLB

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
WO-2015126161-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 — — WO disclosed
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