SCHEMBL6865472

SCHEMBL6865472

CCN(CCN(Cc1nc2ccccc2n1C)Cc1nc2ccccc2n1C)Cc1nc2ccccc2n1C

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
USP2 O75604 1/20 0.56
LMNA P02545 3/20 0.51
PKM P14618 3/20 0.51
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
PDE10A Q9Y233 1/20 0.50
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 2/20 0.48
MAPT P10636 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL11995138 0.94 SMN1; SMN2 (0.61) SMN1; SMN2USP2LMNAPKMNPC1
SCHEMBL31248989 0.87 SMN1; SMN2 (0.65) SMN1; SMN2USP2LMNAPKMNPC1
SCHEMBL3746825 0.87 SMN1; SMN2 (0.65) SMN1; SMN2USP2LMNAPKMNPC1
SCHEMBL6866044 0.87 SMN1; SMN2 (0.55) SMN1; SMN2USP2LMNAPKMNPC1
SCHEMBL6868621 0.87 SMN1; SMN2 (0.58) SMN1; SMN2USP2LMNAPKMNPC1
SCHEMBL844711 0.87 SMN1; SMN2 (0.55) SMN1; SMN2USP2LMNAPKMNPC1
SCHEMBL6859217 0.85 SMN1; SMN2 (0.53) SMN1; SMN2USP2LMNAPKMNPC1
SCHEMBL29087537 0.85 MAPT (0.58) SMN1; SMN2USP2LMNAPKMNPC1
SCHEMBL6866327 0.83 SMN1; SMN2 (0.51) SMN1; SMN2USP2LMNANPC1RAB9A
SCHEMBL16465691 0.82 SMN1; SMN2 (0.53) SMN1; SMN2USP2LMNAPKMNPC1

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
EP-1008645-B1 Detergent bleaching compositions UNILEVER PLC (GB) 2004-07-21 EP disclosed
US-6165963-A Detergent bleaching composition comprising pentadentate ligand derivatives UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. (US) 2000-12-26 US disclosed
EP-1008645-A1 Detergent bleaching compositions UNILEVER PLC (GB) 2000-06-14 EP disclosed
WO-2000027975-A1 DETERGENT BLEACHING COMPOSITION UNILEVER PLC (GB) 2000-05-18 WO disclosed