SCHEMBL28389066

SCHEMBL28389066

C(=Cc1ccccn1)c1ccccc1.CCS(=O)(=O)O

nearest known ligand 0.56

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR known ✓ P35968 1/20 0.41
▸ PTGS1 P23219 1/20 0.54
▸ PTGS2 P35354 1/20 0.54
▸ NPC1 O15118 5/20 0.52
▸ RAB9A P51151 5/20 0.52
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ ATM Q13315 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPT P10636 2/20 0.46
▸ GRM4 Q14833 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ PKM P14618 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ GRM5 P41594 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44

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
SCHEMBL29389283 0.82 MEN1 (0.76) PTGS1PTGS2NPC1RAB9AMEN1
SCHEMBL30195162 0.82 MEN1 (0.76) PTGS1PTGS2NPC1RAB9AMEN1
SCHEMBL461986 0.82 MEN1 (0.76) PTGS1PTGS2NPC1RAB9AMEN1
SCHEMBL461985 0.82 MEN1 (0.76) PTGS1PTGS2NPC1RAB9AMEN1
SCHEMBL2572759 0.81 ALDH1A1 (0.52) PTGS1PTGS2NPC1RAB9AMEN1
SCHEMBL2572762 0.81 ALDH1A1 (0.52) PTGS1PTGS2NPC1RAB9AMEN1
Sulfuric Acid Dimethyl Ester SCHEMBL28003411 0.81 NPC1 (0.52) PTGS1PTGS2NPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL8045707 0.80 MEN1 (0.73) PTGS1PTGS2NPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL8045709 0.80 MEN1 (0.73) PTGS1PTGS2NPC1RAB9AMEN1
Bromide SCHEMBL28164060 0.80 MEN1 (0.73) PTGS1PTGS2NPC1RAB9AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111116827-A High-elasticity high-toughness gel micro-nano particles and preparation method thereof 西南石油大学 2020-05-08 — — CN claimed
CN-111116827-B High-elasticity high-toughness gel micro-nano particles and preparation method thereof 西南石油大学 2021-11-23 — — CN disclosed
CN-111116827-A High-elasticity high-toughness gel micro-nano particles and preparation method thereof 西南石油大学 2020-05-08 — — CN disclosed
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