SCHEMBL2857598

SCHEMBL2857598

Cc1ccc(CNC(=O)Oc2cnn(-c3ccccc3)c2C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.48
MEN1 O00255 6/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 3/20 0.46
POLB P06746 1/20 0.46
FPR1 P21462 1/20 0.45
MAPK11 Q15759 3/20 0.45
MAPK14 Q16539 3/20 0.45
DDR1 Q08345 1/20 0.45
DDR2 Q16832 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
MAP3K20 Q9NYL2 1/20 0.45
MAP3K2 Q9Y2U5 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL2861243 0.92 KDM4E (0.52) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL2855710 0.91 LMNA (0.46) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL2854847 0.91 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL2852454 0.91 KDM4E (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL2856356 0.90 ALDH1A1 (0.47) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL2854814 0.89 TP53 (0.47) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL2858589 0.89 ALDH1A1 (0.45) KMT2AALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL2854804 0.86 MAPK1 (0.48) RAB9AALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL2860715 0.86 ALDH1A1 (0.46) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL2852520 0.86 TP53 (0.47) KMT2AMEN1NPC1RAB9AALDH1A1

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