SCHEMBL8033580

SCHEMBL8033580

CCCCn1nnnc1Sc1nc(-c2ccccc2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 6/20 0.43
RAB9A P51151 5/20 0.43
NPC1 O15118 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
STAT1 P42224 1/20 0.43
HTR1A P08908 1/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
HTT P42858 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
UBE2M P61081 2/20 0.41
DCUN1D1 Q96GG9 2/20 0.41
NR1H3 Q13133 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 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
SCHEMBL8034187 0.93 HTR1A (0.44) ALDH1A1RAB9ANPC1MAPTKMT2A
SCHEMBL8046481 0.89 ALDH1A1 (0.44) POLBHPGDALDH1A1RAB9ANPC1
SCHEMBL8043688 0.88 HTR1A (0.46) HPGDALDH1A1RAB9ANPC1MAPT
SCHEMBL8033682 0.88 RAB9A (0.45) HPGDALDH1A1RAB9ANPC1HTR1A
SCHEMBL8044049 0.88 HTR1A (0.54) RAB9ANPC1MAPTKMT2AHTR1A
SCHEMBL8043865 0.85 RAB9A (0.42) ALDH1A1RAB9ANPC1MAPTKMT2A
SCHEMBL8041849 0.84 RAB9A (0.38) POLBHPGDALDH1A1RAB9ANPC1
SCHEMBL8720492 0.82 RAB9A (0.41) HPGDALDH1A1RAB9ANPC1KMT2A
SCHEMBL8048583 0.82 ALDH1A1 (0.45) HPGDALDH1A1RAB9AKMT2AMEN1
SCHEMBL8043192 0.81 ALDH1A1 (0.35) POLBHPGDALDH1A1MAPTKMT2A

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