SCHEMBL2856936

SCHEMBL2856936

O=C(NCCc1cccs1)Oc1cnn(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 1/20 0.42
METAP2 P50579 3/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HPGD P15428 5/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.38
BRD4 O60885 1/20 0.38
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
MET P08581 1/20 0.37
AXL P30530 1/20 0.37
RECQL P46063 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL2859098 0.92 NPC1 (0.47) KDM4EALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL2854509 0.86 KDM4E (0.50) KDM4EALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL2854824 0.82 POLB (0.44) KDM4EALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL2852488 0.82 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL2860253 0.82 PLAAT3 (0.47) KDM4EALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL2857936 0.82 KDM4E (0.47) KDM4EALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL2856562 0.82 MAPT (0.48) KDM4EALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL2860110 0.82 KDM4E (0.47) KDM4EALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL2855734 0.82 ALDH1A1 (0.44) ALDH1A1POLBSMN1; SMN2MAPTKMT2A
SCHEMBL2854705 0.81 ALDH1A1 (0.46) KDM4EALDH1A1POLBSMN1; SMN2MAPT

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