SCHEMBL8048583

SCHEMBL8048583

c1ccc(Cn2nnnc2Sc2nc(-c3ccccc3)cs2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
TSHR P16473 6/20 0.45
LMNA P02545 4/20 0.45
RAB9A P51151 2/20 0.45
P2RX7 Q99572 1/20 0.45
HTT P42858 2/20 0.44
KMT2A Q03164 3/20 0.43
MAPK1 P28482 2/20 0.43
CYP19A1 P11511 1/20 0.43
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PPARG P37231 1/20 0.40

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
SCHEMBL8046147 0.93 ALDH1A1 (0.42) ALDH1A1TSHRLMNARAB9AP2RX7
SCHEMBL8043865 0.88 RAB9A (0.42) ALDH1A1TSHRLMNARAB9AHTT
SCHEMBL8043688 0.86 HTR1A (0.46) ALDH1A1TSHRLMNARAB9AHTT
SCHEMBL8045085 0.86 POLB (0.43) ALDH1A1TSHRLMNARAB9AP2RX7
SCHEMBL8050306 0.86 LMNA (0.41) ALDH1A1TSHRLMNARAB9AHTT
SCHEMBL8034187 0.84 HTR1A (0.44) ALDH1A1TSHRLMNARAB9AHTT
SCHEMBL8047351 0.84 KMT2A (0.47) ALDH1A1TSHRLMNARAB9AP2RX7
SCHEMBL8042146 0.83 KDM4E (0.42) LMNARAB9AHTTKMT2AMEN1
SCHEMBL8048335 0.83 RAB9A (0.45) ALDH1A1TSHRLMNARAB9AHTT
SCHEMBL8713674 0.83 LMNA (0.40) ALDH1A1TSHRLMNARAB9AHTT

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