SCHEMBL2855796

SCHEMBL2855796

O=C(Nc1ccc(Cl)cn1)Oc1cnn(-c2ccccn2)c1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 7/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
NPC1 O15118 5/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 2/20 0.38
PTK2 Q05397 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38

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
SCHEMBL2853241 0.89 SMN1; SMN2 (0.41) ALDH1A1MEN1KMT2ATSHRRAB9A
SCHEMBL2852401 0.88 L3MBTL1 (0.39) ALDH1A1MEN1KMT2ATSHRRAB9A
SCHEMBL2854992 0.85 L3MBTL1 (0.43) ALDH1A1MEN1KMT2ATSHRRAB9A
SCHEMBL2854611 0.82 TRPV1 (0.41) MEN1KMT2AGAARAB9ASMN1; SMN2
SCHEMBL2859594 0.80 TAAR1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL2853088 0.80 NR3C1 (0.41) ALDH1A1MEN1KMT2ATSHRRAB9A
SCHEMBL2857586 0.79 ATR (0.39) ALDH1A1GAATSHRRAB9ASMN1; SMN2
SCHEMBL2862979 0.78 TRPV1 (0.44) GAASMN1; SMN2
SCHEMBL2854810 0.78 KMT2A (0.46) ALDH1A1MEN1KMT2AGAARAB9A
SCHEMBL2854489 0.78 PTGS1 (0.43) GAARAB9ANPC1MAPTSCN9A

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