SCHEMBL6823644

SCHEMBL6823644

COC(=O)C(O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 2/20 0.46
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.45
HTR2A P28223 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL5160654 0.86 MAPT (0.51) KMT2AMEN1LMNARAB9ASMN1; SMN2
SCHEMBL5160644 0.86 MAPT (0.51) KMT2AMEN1LMNARAB9ASMN1; SMN2
SCHEMBL2234342 0.86 PTPRB (0.52) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL5019060 0.84 KMT2A (0.52) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL22338893 0.84 KMT2A (0.52) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL3317059 0.83 ALDH1A1 (0.62) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL4367409 0.83 ALDH1A1 (0.62) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL240405 0.83 ALDH1A1 (0.62) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL4592273 0.82 MAPK1 (0.50) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL19369766 0.82 MAPK1 (0.50) KMT2AMEN1LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004087656-A1 CONJUGATES OF 2,4-ETHANO-BRIDGED AND 2,4-PROPANO-BRIDGED 3,6,9-TRIAZA-NONANOIC ACID, 3N,6N,9,9N-TETRAETHANOIC ACID, AND CORRESPONDING PHOSPHORIC ACID METHYLENE DERIVATIVES AND THE SUBSTITUTION PRODUCTS THEREOF WITH BIOMOLECULES, METHODS FOR THE PRODUCTION THEREOF, AND THE USE OF THE SAME FOR PRODU SCHERING AKTIENGESELLSCHAFT (DE) 2004-10-14 WO disclosed
US-5225431-A Treatment of migraine BURROUGHS WELLCOME CO. (US) 1993-07-06 US disclosed
EP-0313397-B1 THERAPEUTIC HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1993-06-02 EP disclosed
EP-0313397-A1 Therapeutic heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1989-04-26 EP disclosed