SCHEMBL19250178

SCHEMBL19250178

C/C(=C\C(=C/N)c1cccc(C)c1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ POLB P06746 3/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KCNK3 O14649 1/20 0.39
▸ KCNK9 Q9NPC2 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ GPR52 Q9Y2T5 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ KAT6A Q92794 1/20 0.35

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
SCHEMBL19678151 0.84 KDM1A (0.43) PARP1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL19417372 0.78 SMN1; SMN2 (0.41) PARP1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL24711679 0.76 PARP1 (0.48) PARP1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL19678165 0.75 SMN1; SMN2 (0.46) SMN1; SMN2MAPTL3MBTL1
SCHEMBL29085641 0.73 PARP1 (0.53) PARP1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL28425343 0.73 PARP1 (0.53) PARP1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL3443702 0.70 KDM1A (0.50) PARP1POLBKMT2AMAPTALDH1A1
SCHEMBL10229452 0.70 KDM1A (0.50) PARP1POLBKMT2AMAPTALDH1A1
SCHEMBL6546795 0.69 TP53 (0.47) PARP1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL11787753 0.69 PARP1 (0.52) PARP1SMN1; SMN2POLBMEN1KMT2A

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-2017136403-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2017-08-10 — — WO disclosed
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