SCHEMBL7278987

SCHEMBL7278987

O=C(O)c1c[n+]([O-])ccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HNF4A P41235 3/20 0.44
BCAT2 O15382 1/20 0.43
FOLH1 Q04609 1/20 0.42
PTPN1 P18031 4/20 0.42
ALDH1A1 P00352 2/20 0.41
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
FABP5 Q01469 1/20 0.41
ALOX15 P16050 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTPN6 P29350 2/20 0.39
PTPN2 P17706 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39

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
SCHEMBL10636683 0.77 DHODH (0.47) MEN1KMT2AALDH1A1SMN1; SMN2ACMSD
SCHEMBL1015022 0.77 MEN1 (0.50) MEN1KMT2AALDH1A1ALOX15AKR1C3
SCHEMBL1015021 0.77 MEN1 (0.50) MEN1KMT2AALDH1A1ALOX15AKR1C3
SCHEMBL10633622 0.75 SERPINE1 (0.46) MEN1KMT2AALDH1A1ALOX15SMN1; SMN2
SCHEMBL8847188 0.73 MEN1 (0.47) MEN1KMT2AHNF4APTPN1ALDH1A1
Benzene SCHEMBL1403559 0.72 HNF4A (0.69) MEN1KMT2AHNF4ABCAT2FOLH1
Benzene SCHEMBL28480917 0.72 HNF4A (0.69) MEN1KMT2AHNF4ABCAT2FOLH1
SCHEMBL26624744 0.72 HNF4A (0.69) MEN1KMT2AHNF4ABCAT2FOLH1
SCHEMBL133057 0.72 HNF4A (0.69) MEN1KMT2AHNF4ABCAT2FOLH1
SCHEMBL4881052 0.72 MEN1 (0.46) MEN1KMT2AALDH1A1ALOX15MYC

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
US-4904675-A Phamacologically active 5-carboxy-2-(5-tetrazolyl) pyridines ZYMA SA (CH) 1990-02-27 US disclosed
EP-0278908-A2 Heterocyclic compounds Zyma SA (CH) 1988-08-17 EP disclosed