SCHEMBL7983655

SCHEMBL7983655

Cn1nc(C(F)(F)F)cc1O.Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
EPHX2 P34913 1/20 0.40
HSD17B2 P37059 1/20 0.40
CES2 O00748 1/20 0.39
AKR1C3 P42330 1/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.39
PNMT P11086 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL537472 0.82 HDAC3 (0.41) MEN1KMT2ANPC1LMNARAB9A
SCHEMBL29661200 0.79 CES2 (0.57) MEN1KMT2AMAPTNPC1LMNA
SCHEMBL40389 0.77 TSHR (0.54) MEN1KMT2AMAPTNPC1LMNA
SCHEMBL29438909 0.77 TSHR (0.54) MEN1KMT2AMAPTNPC1LMNA
Hydrochloric Acid SCHEMBL30994527 0.75 TSHR (0.52) MEN1KMT2AMAPTNPC1LMNA
Hydrochloric Acid SCHEMBL30129608 0.75 TSHR (0.52) MEN1KMT2AMAPTNPC1LMNA
SCHEMBL8724379 0.75 TSHR (0.52) MEN1KMT2AMAPTNPC1LMNA
SCHEMBL28779162 0.75 TSHR (0.52) MEN1KMT2AMAPTNPC1LMNA
SCHEMBL27511811 0.75 TSHR (0.52) MEN1KMT2AMAPTNPC1LMNA
Water SCHEMBL27470131 0.75 TSHR (0.52) MEN1KMT2AMAPTNPC1LMNA

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
WO-2001007416-A1 METHOD OF PRODUCING PYRIDAZINE CARBOXYLIC ACID DERIVATIVES LONZA AG (CH) 2001-02-01 WO disclosed