SCHEMBL19697613

SCHEMBL19697613

C=C/C=C\C(=C\C)NCc1ccc(Cl)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 7/20 0.41
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ ANO1 Q5XXA6 1/20 0.38
▸ ANO2 Q9NQ90 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL26046875 0.73 KMT2A (0.33) P2RX7HDAC3HDAC1HDAC2HDAC6
SCHEMBL3130070 0.71 P2RX7 (0.56) P2RX7HDAC3HDAC1HDAC2HDAC6
SCHEMBL9926539 0.70 SETDB1 (0.57) P2RX7HDAC3HDAC1HDAC2HDAC6
SCHEMBL11763132 0.69 GAA (0.51) P2RX7HDAC3HDAC1HDAC2HDAC6
SCHEMBL23565221 0.68 P2RX7 (0.59) P2RX7HDAC3HDAC1HDAC2HDAC6
SCHEMBL8279448 0.67 SLC6A4 (0.57) HDAC3HDAC1HDAC2HDAC6
SCHEMBL30435034 0.67 SLC6A4 (0.57) HDAC3HDAC1HDAC2HDAC6
SCHEMBL15682778 0.67 HDAC1 (0.54) P2RX7HDAC3HDAC1HDAC2HDAC6
SCHEMBL23997640 0.67 IDO1 (0.52) P2RX7HDAC3HDAC1HDAC2HDAC6
SCHEMBL15682815 0.66 P2RX7 (0.50) P2RX7HDAC3HDAC1HDAC2HDAC6

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-2017214413-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS Chrysalis, Inc. (US) 2017-12-14 — — WO disclosed
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