SCHEMBL8044756

SCHEMBL8044756

COCCCn1nnnc1Sc1nc2ccccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
TSHR P16473 3/20 0.47
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 5/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TP53 P04637 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
GAA P10253 2/20 0.42
USP2 O75604 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 3/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL8713974 0.91 HSP90AA1 (0.42) ALDH1A1TSHRHPGDL3MBTL1RAB9A
SCHEMBL8032720 0.87 HSP90AA1 (0.53) ALDH1A1TSHRHPGDL3MBTL1RAB9A
SCHEMBL8049808 0.85 SMN1; SMN2 (0.50) ALDH1A1TSHRHPGDL3MBTL1RAB9A
SCHEMBL8033677 0.84 ALDH1A1 (0.54) ALDH1A1TSHRHPGDL3MBTL1RAB9A
SCHEMBL8046039 0.83 HSP90AA1 (0.46) ALDH1A1HPGDRAB9ASMN1; SMN2LMNA
SCHEMBL8044261 0.82 ALDH1A1 (0.50) ALDH1A1TSHRHPGDL3MBTL1RAB9A
SCHEMBL8047444 0.81 ALDH1A1 (0.44) ALDH1A1TSHRHPGDL3MBTL1RAB9A
SCHEMBL8050578 0.81 ALDH1A1 (0.49) ALDH1A1TSHRHPGDL3MBTL1RAB9A
SCHEMBL8033682 0.79 RAB9A (0.45) ALDH1A1TSHRHPGDL3MBTL1RAB9A
SCHEMBL8044271 0.78 RAB9A (0.62) ALDH1A1TSHRHPGDL3MBTL1RAB9A

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