SCHEMBL6597741

SCHEMBL6597741

O=C(C[n+]1cccc(-c2cc(C(Oc3ccccc3)c3ccccc3)n[nH]2)c1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.41
KMT2A Q03164 5/20 0.41
PABPC1 P11940 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
CYP1A2 P05177 1/20 0.36
ADRB2 P07550 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 2/20 0.36
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.34
MAPT P10636 1/20 0.34
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
Hydrochloric Acid SCHEMBL1194038 0.99 LMNA (0.42) LMNAKMT2APABPC1ATMALDH1A1
Hydrochloric Acid SCHEMBL6609904 0.87 POLB (0.34) LMNAKMT2AALDH1A1KDM4EMEN1
SCHEMBL6598021 0.86 KMT2A (0.45) LMNAKMT2APABPC1ATMALDH1A1
Hydrochloric Acid SCHEMBL1193657 0.85 KMT2A (0.44) LMNAKMT2APABPC1ATMALDH1A1
SCHEMBL6598418 0.84 KMT2A (0.36) KMT2AKDM4ECYP2D6CYP2C19MEN1
Hydrochloric Acid SCHEMBL5364641 0.83 KMT2A (0.35) KMT2AKDM4ECYP2D6MEN1HTT
Bromide SCHEMBL1194131 0.83 KMT2A (0.35) KMT2AKDM4ECYP2D6CYP2C19MEN1
Bromide SCHEMBL6597813 0.82 MAPT (0.34) LMNAKMT2AALDH1A1KDM4EMEN1
SCHEMBL6596014 0.75 KMT2A (0.47) LMNAKMT2APABPC1ATMALDH1A1
Bromide SCHEMBL1193597 0.74 KMT2A (0.49) LMNAKMT2APABPC1ATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373263-B1 HETEROCYCLIC COMPOUNDS FOR AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS TORRENT PHARMACEUTICALS LTD (IN) 2004-10-27 EP claimed