SCHEMBL9047397

SCHEMBL9047397

O=C(O)Cn1c(=O)c2cc(OCc3ccc(Cl)cc3Cl)ccc2n(Cc2ccc(Cl)cc2Cl)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
AKR1A1 P14550 1/20 0.46
AKR1B1 P15121 1/20 0.46
SLC26A4 O43511 1/20 0.46
POLB P06746 1/20 0.46
NR4A1 P22736 1/20 0.46
NR4A3 Q92570 1/20 0.46
S1PR1 P21453 1/20 0.45
LTK P29376 1/20 0.45
TAOK1 Q7L7X3 1/20 0.45
S1PR5 Q9H228 1/20 0.45
FFAR1 O14842 8/20 0.43
PTPN1 P18031 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL9047096 0.88 KMT2A (0.55) MEN1KMT2AAKR1A1AKR1B1LMNA
SCHEMBL9046675 0.88 SMN1; SMN2 (0.51) NR4A2MEN1KMT2ASLC26A4POLB
SCHEMBL9047449 0.78 LMNA (0.52) MEN1KMT2APOLBLMNASMN1; SMN2
SCHEMBL10488016 0.78 AKR1A1 (0.60) MEN1KMT2AAKR1A1AKR1B1LMNA
SCHEMBL11269563 0.76 LMNA (0.62) MEN1KMT2AAKR1A1AKR1B1LMNA
SCHEMBL9051080 0.76 LMNA (0.47) MEN1KMT2AAKR1A1AKR1B1LMNA
SCHEMBL9051076 0.75 LMNA (0.46) MEN1KMT2AAKR1A1AKR1B1POLB
SCHEMBL9047901 0.74 LMNA (0.52) MEN1KMT2AAKR1A1AKR1B1POLB
SCHEMBL9056716 0.73 AKR1B1 (0.78) MEN1KMT2AAKR1A1AKR1B1PTGDR2
SCHEMBL9048660 0.72 AKR1A1 (0.49) MEN1KMT2AAKR1A1AKR1B1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0456835-B1 QUINAZOLINE-3-ALKANOIC ACID DERIVATIVE, SALT THEREOF, AND PRODUCTION THEREOF KYORIN SEIYAKU KK (JP) 1996-05-15 EP claimed
EP-0456835-B1 QUINAZOLINE-3-ALKANOIC ACID DERIVATIVE, SALT THEREOF, AND PRODUCTION THEREOF KYORIN SEIYAKU KK (JP) 1996-05-15 EP disclosed