SCHEMBL6596014

SCHEMBL6596014

O=C(C[n+]1cccc(-c2cc(Cc3ccccc3)n[nH]2)c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
PABPC1 P11940 1/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 5/20 0.46
LMNA P02545 5/20 0.46
KDM4E B2RXH2 2/20 0.46
GLA P06280 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
ADRB2 P07550 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 2/20 0.41
LTA4H P09960 1/20 0.39
PLA2G2A P14555 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 1/20 0.38

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
Bromide SCHEMBL1193597 0.99 KMT2A (0.49) KMT2APABPC1ATMALDH1A1LMNA
SCHEMBL6599925 0.85 KMT2A (0.42) KMT2APABPC1ATMALDH1A1LMNA
Hydrochloric Acid SCHEMBL1194570 0.84 KMT2A (0.41) KMT2APABPC1ATMALDH1A1LMNA
SCHEMBL6595709 0.84 ALDH1A1 (0.38) KMT2APABPC1ATMALDH1A1LMNA
SCHEMBL6599975 0.83 CYP1A2 (0.54) ALDH1A1LMNAKDM4ESMN1; SMN2HTT
Hydrochloric Acid SCHEMBL1194041 0.83 ALDH1A1 (0.38) KMT2APABPC1ATMALDH1A1LMNA
SCHEMBL6597984 0.82 MAPK8 (0.39) KMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL1194183 0.82 LMNA (0.56) KMT2AALDH1A1LMNAKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL7070348 0.81 HSP90AA1 (0.44) KMT2AALDH1A1LMNAKDM4E
Hydrochloric Acid SCHEMBL1194003 0.81 MAPK8 (0.39) KMT2AALDH1A1LMNAMEN1

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