SCHEMBL19983386

SCHEMBL19983386

N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SCSO

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.75
▸ KAT8 Q9H7Z6 1/20 0.66
▸ ALDH1A1 P00352 4/20 0.65
▸ HPGD P15428 4/20 0.65
▸ NPSR1 Q6W5P4 4/20 0.65
▸ MEN1 O00255 8/20 0.64
▸ PABPC1 P11940 1/20 0.64
▸ PPP1CA P62136 1/20 0.64
▸ EIF4H Q15056 1/20 0.64
▸ SAE1 Q9UBE0 1/20 0.64
▸ UBA2 Q9UBT2 1/20 0.64
▸ POLB P06746 1/20 0.64
▸ ADORA2A P29274 2/20 0.61
▸ ADORA1 P30542 2/20 0.61
▸ BRD4 O60885 1/20 0.57
▸ MAPT P10636 5/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ SQOR Q9Y6N5 1/20 0.54
▸ KDM4E B2RXH2 3/20 0.53
▸ LMNA P02545 1/20 0.52

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
SCHEMBL16685871 0.86 KMT2A (0.68) KMT2AKAT8ALDH1A1HPGDNPSR1
SCHEMBL16686277 0.86 KMT2A (0.67) KMT2AKAT8ALDH1A1HPGDNPSR1
SCHEMBL15525610 0.83 KMT2A (0.64) KMT2AKAT8ALDH1A1HPGDNPSR1
SCHEMBL16685836 0.83 KMT2A (0.64) KMT2AKAT8ALDH1A1HPGDNPSR1
SCHEMBL16685783 0.83 KMT2A (0.64) KMT2AKAT8ALDH1A1HPGDNPSR1
SCHEMBL16686240 0.83 KMT2A (0.64) KMT2AKAT8ALDH1A1HPGDNPSR1
SCHEMBL16685861 0.83 KMT2A (0.63) KMT2AKAT8ALDH1A1HPGDNPSR1
SCHEMBL18153462 0.83 KMT2A (0.63) KMT2AKAT8ALDH1A1HPGDNPSR1
SCHEMBL16685807 0.81 KMT2A (0.61) KMT2AKAT8ALDH1A1HPGDNPSR1
SCHEMBL16696316 0.81 KMT2A (0.64) KMT2AKAT8ALDH1A1HPGDNPSR1

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-3295940-A1 COMPOSITIONS AND METHODS OF MODULATING 15-PGDH ACTIVITY Case Western Reserve University (US) 2018-03-21 — — EP disclosed
Send feedback