SCHEMBL8689403

SCHEMBL8689403

O=C(CNc1ccccc1F)Nc1ccccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
KMT2A Q03164 3/20 0.55
KDM4E B2RXH2 3/20 0.53
RAB9A P51151 3/20 0.53
AGTR1 P30556 1/20 0.53
LMNA P02545 2/20 0.52
MEN1 O00255 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
CTSK P43235 1/20 0.51
HCAR2 Q8TDS4 2/20 0.51
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
RECQL P46063 1/20 0.49
GRIK1 P39086 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL8689163 0.88 ALDH1A1 (0.54) ALDH1A1KMT2ARAB9ALMNAMEN1
SCHEMBL8689221 0.88 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4ERAB9ALMNA
SCHEMBL8691526 0.85 TDP1 (0.54) ALDH1A1KMT2AKDM4ELMNAMEN1
SCHEMBL8689589 0.85 ALDH1A1 (0.64) ALDH1A1KMT2AKDM4ERAB9ALMNA
SCHEMBL4906943 0.85 LMNA (0.55) ALDH1A1KMT2AKDM4ERAB9ALMNA
SCHEMBL4911020 0.85 ALDH1A1 (0.62) ALDH1A1KMT2AKDM4ERAB9ALMNA
SCHEMBL8693363 0.85 GRIK1 (0.70) ALDH1A1KMT2AKDM4ELMNAMEN1
SCHEMBL8688689 0.84 ALDH1A1 (0.71) ALDH1A1KMT2AKDM4ELMNAL3MBTL1
SCHEMBL8689224 0.84 ALDH1A1 (0.61) ALDH1A1KMT2ARAB9ALMNAMEN1
SCHEMBL2627998 0.83 KMT2A (0.59) ALDH1A1KMT2AKDM4ERAB9AAGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5741926-A ANTIDIABETIC AGENT SHAMAN PHARMACEUTICALS, INC. (US) 1998-04-21 US claimed
WO-1997030019-A1 ANILINE DERIVATIVES HAVING ANTIHYPERGLYCEMIC ACTIVITY SHAMAN PHARMACEUTICALS, INC. (US) 1997-08-21 WO claimed
US-5741926-A ANTIDIABETIC AGENT SHAMAN PHARMACEUTICALS, INC. (US) 1998-04-21 US disclosed
WO-1997030019-A1 ANILINE DERIVATIVES HAVING ANTIHYPERGLYCEMIC ACTIVITY SHAMAN PHARMACEUTICALS, INC. (US) 1997-08-21 WO disclosed
WO-1996010015-A1 CRYPTOLEPINE ANALOGS WITH HYPOGLYCEMIC ACTIVITY SHAMAN PHARMACEUTICALS, INC. (US) 1996-04-04 WO disclosed