SCHEMBL10690540

SCHEMBL10690540

[N-]=[N+]=C(C(=O)O)C(=O)CCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
TSHR P16473 2/20 0.47
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP2C19 P33261 2/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 2/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
KCNJ1 P48048 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
TRPA1 O75762 1/20 0.41
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.41
CDK2 P24941 1/20 0.41
MAPK1 P28482 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
SCHEMBL2940774 0.92 MEN1 (0.50) KMT2AMEN1TSHRMAPTALDH1A1
SCHEMBL28313826 0.81 LMNA (0.47) KMT2AALDH1A1NPC1RAB9ALMNA
SCHEMBL135651 0.79 TSHR (0.59) KMT2AMEN1TSHRMAPTALDH1A1
Hydrochloric Acid SCHEMBL5030930 0.77 TSHR (0.58) KMT2AMEN1TSHRMAPTALDH1A1
SCHEMBL11025484 0.77 TSHR (0.53) KMT2AMEN1TSHRMAPTALDH1A1
SCHEMBL8898093 0.76 TSHR (0.59) KMT2AMEN1TSHRMAPTALDH1A1
SCHEMBL9404020 0.76 HDAC1 (0.58) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2850348 0.76 TSHR (0.59) KMT2AMEN1TSHRMAPTALDH1A1
SCHEMBL11760068 0.75 TSHR (0.54) KMT2AMEN1TSHRMAPTALDH1A1
SCHEMBL8934569 0.74 TSHR (0.58) KMT2AMEN1TSHRMAPTALDH1A1

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-4746736-A THIENAMYCINS, BACTERICIDES BRISTOL-MYERS COMPANY (US) 1988-05-24 US disclosed
US-4683296-A ANTIBIOTICS, SILATION BRISTOL-MYERS COMPANY (US) 1987-07-28 US disclosed