SCHEMBL22978577

SCHEMBL22978577

Cc1cccc2c1cc(CO)n2C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PLA2G10 O15496 1/20 0.41
▸ SLC9A1 P19634 1/20 0.40
▸ F10 P00742 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ AGTR1 P30556 1/20 0.35
▸ SLC22A12 Q96S37 3/20 0.35
▸ FABP4 P15090 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RHEB Q15382 1/20 0.34
▸ MTNR1B P49286 3/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MTNR1A P48039 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 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
SCHEMBL19013560 0.80 NR1H2 (0.43) SLC9A1
SCHEMBL16835425 0.73 OXER1 (0.46) POLBKMT2A
SCHEMBL25253592 0.70 KMO (0.41) PLA2G10KDM4EFABP4LMNAMAPT
SCHEMBL19013496 0.68 NR1H2 (0.42) SLC9A1
SCHEMBL3922585 0.68 GLO1 (0.40) MAPTHTTMEN1KMT2ARAB9A
SCHEMBL29631856 0.68 NR1H2 (0.42) SLC9A1
SCHEMBL996292 0.68 ABCB1 (0.50) KDM4EPOLBAGTR1LMNAMAPT
SCHEMBL27343262 0.67 KDM4E (0.54) PLA2G10KDM4EPOLBFABP4MAPT
SCHEMBL28815311 0.67 KDM4E (0.57) KDM4ELMNAMEN1KMT2ARAB9A
SCHEMBL2276306 0.66 SLC9A1 (0.64) PLA2G10SLC9A1F10KDM4EMAPT

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-2021026672-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2021-02-18 — — WO disclosed
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