SCHEMBL8046511

SCHEMBL8046511

Cn1nnnc1Sc1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 10/20 0.45
PIP4K2C Q8TBX8 9/20 0.45
PAX8 Q06710 3/20 0.45
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
F2RL3 Q96RI0 1/20 0.36
DCUN1D1 Q96GG9 3/20 0.36
UBE2M P61081 1/20 0.35
MITF O75030 2/20 0.34
MEN1 O00255 2/20 0.34
TP53 P04637 2/20 0.34
KMT2A Q03164 2/20 0.34
STAT3 P40763 1/20 0.34
STAT1 P42224 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALOX5 P09917 1/20 0.34
LMNA P02545 2/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL8045256 0.86 MAPT (0.35) HTTPIP4K2CPAX8MAPTF2RL3
SCHEMBL8048290 0.86 MAPT (0.35) HTTPIP4K2CPAX8MAPTF2RL3
SCHEMBL8044430 0.85 CTSS (0.34) HTTPIP4K2CPAX8MAPTF2RL3
SCHEMBL8032734 0.85 ALDH1A1 (0.37) HTTPIP4K2CPAX8MAPTF2RL3
SCHEMBL8043192 0.83 ALDH1A1 (0.35) HTTPIP4K2CPAX8MAPTDCUN1D1
SCHEMBL8047810 0.81 CYP2C9 (0.37) HTTPIP4K2CPAX8MAPTF2RL3
SCHEMBL8043614 0.81 DCUN1D1 (0.41) DCUN1D1UBE2M
SCHEMBL8043200 0.81 ALDH1A1 (0.43) HTTMAPTTDP1DCUN1D1UBE2M
SCHEMBL8043093 0.81 SMN1; SMN2 (0.38) MAPTTDP1F2RL3L3MBTL1ALOX5
SCHEMBL8042227 0.81 MAPT (0.39) MAPTTDP1F2RL3MEN1KMT2A

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
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed