SCHEMBL2854824

SCHEMBL2854824

CCCc1c(OC(=O)NCCc2cccs2)cnn1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 8/20 0.43
MAPK1 P28482 3/20 0.43
MAPT P10636 6/20 0.43
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
METAP2 P50579 3/20 0.41
LMNA P02545 2/20 0.40
BRD4 O60885 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL2848617 0.92 NPC1 (0.47) POLBALDH1A1MAPK1MAPTRAB9A
SCHEMBL2850503 0.91 HPGD (0.48) POLBKMT2AALDH1A1MAPK1MAPT
SCHEMBL2856936 0.82 KDM4E (0.45) POLBKMT2AALDH1A1MAPTRAB9A
SCHEMBL2853163 0.82 ALDH1A1 (0.45) POLBALDH1A1MAPK1MAPTRAB9A
SCHEMBL2861640 0.82 ALDH1A1 (0.45) POLBALDH1A1MAPK1MAPTRAB9A
SCHEMBL2856513 0.81 TAAR1 (0.51) KMT2AALDH1A1MAPK1MAPTRAB9A
SCHEMBL2852521 0.81 ALDH1A1 (0.53) KMT2AALDH1A1MAPK1MAPTRAB9A
SCHEMBL2860235 0.81 LMNA (0.47) POLBALDH1A1MAPK1MAPTRAB9A
SCHEMBL2856225 0.81 ALDH1A1 (0.44) POLBALDH1A1MAPK1MAPTRAB9A
SCHEMBL2857176 0.81 ALDH1A1 (0.46) KMT2AALDH1A1MAPK1MAPTRAB9A

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed