SCHEMBL19956096

SCHEMBL19956096

O=C(c1ccc(Oc2ccccc2)cc1)C(Cl)I

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 1/20 0.55
▸ SRD5A2 P31213 6/20 0.53
▸ ERCC5 P28715 1/20 0.47
▸ FEN1 P39748 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ PGR P06401 1/20 0.45
▸ BCL2 P10415 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ AKR1C3 P42330 1/20 0.44
▸ NPY5R Q15761 1/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL83789 0.85 PARP10 (0.58) PARP10SRD5A2ERCC5FEN1SMN1; SMN2
SCHEMBL28211372 0.82 TDP1 (0.52) PGRAKR1C3NPC1ALDH1A1POLB
SCHEMBL11691009 0.82 PARP10 (0.55) PARP10SRD5A2ERCC5FEN1SMN1; SMN2
Formaldehyde SCHEMBL11207019 0.82 PARP10 (0.55) PARP10SRD5A2ERCC5FEN1SMN1; SMN2
Benzophenone SCHEMBL7809085 0.79 SRD5A2 (0.64) PARP10SRD5A2PGRBCL2MCL1
SCHEMBL10996146 0.78 SRD5A2 (0.59) PARP10SRD5A2ERCC5FEN1SMN1; SMN2
SCHEMBL8488415 0.78 PARP10 (0.58) PARP10SRD5A2ERCC5FEN1SMN1; SMN2
SCHEMBL2625197 0.78 BCL2 (0.61) PARP10SRD5A2ERCC5FEN1SMN1; SMN2
SCHEMBL11362358 0.75 PARP10 (0.55) PARP10SRD5A2ERCC5FEN1SMN1; SMN2
SCHEMBL11433567 0.75 PARP10 (0.55) PARP10SRD5A2ERCC5FEN1SMN1; SMN2

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
EP-3293245-A2 REACTIVE MESOGEN AND LIQUID CRYSTAL COMPOSITION INCLUDING THE SAME Samsung Display Co., Ltd. (KR) 2018-03-14 — — EP disclosed
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