SCHEMBL8253276

SCHEMBL8253276

C=C(O)c1cc2ccccc2n1C

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.68
SLC9A1 P19634 1/20 0.53
KMT2A Q03164 3/20 0.52
MAPT P10636 2/20 0.51
MEN1 O00255 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
DAO P14920 2/20 0.49
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
RECQL P46063 1/20 0.46
PHGDH O43175 1/20 0.46
TERT O14746 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRL1 P41146 1/20 0.45

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
SCHEMBL3275631 0.86 MCL1 (0.65) MCL1SLC9A1KMT2AMAPTMEN1
SCHEMBL7981184 0.85 MCL1 (0.62) MCL1SLC9A1KMT2AMAPTMEN1
SCHEMBL29945775 0.82 MCL1 (0.70) MCL1SLC9A1KMT2AMAPTMEN1
SCHEMBL15657021 0.82 MCL1 (0.70) MCL1SLC9A1KMT2AMAPTMEN1
SCHEMBL117186 0.81 MCL1 (1.00) MCL1SLC9A1KMT2AMAPTMEN1
SCHEMBL14723647 0.80 MCL1 (0.57) MCL1SLC9A1KMT2AMAPTMEN1
Hydrochloric Acid SCHEMBL8600262 0.79 MCL1 (0.96) MCL1SLC9A1KMT2AMAPTMEN1
SCHEMBL16599480 0.78 MCL1 (0.76) MCL1SLC9A1KMT2AMAPTMEN1
SCHEMBL27467673 0.78 MCL1 (0.74) MCL1SLC9A1KMT2AMAPTMEN1
SCHEMBL401039 0.77 MCL1 (0.73) MCL1SLC9A1KMT2AMAPTMEN1

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-2435407-B1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2019-12-25 EP disclosed
WO-2007006714-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-01-18 WO disclosed