SCHEMBL88361

SCHEMBL88361

CCN(CC)c1ccc(-c2nnc(-c3ccc(N(CC)CC)cc3)s2)cc1.CN(C)c1ccc(-c2ccccn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 3/20 0.52
GAA P10253 5/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
KDM4E B2RXH2 6/20 0.45
MAPT P10636 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
ATM Q13315 1/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
TP53 P04637 2/20 0.45
GLA P06280 2/20 0.45
APP P05067 1/20 0.43
P2RY1 P47900 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 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
SCHEMBL61365 0.84 CYP1A2 (0.54) KDM4EMAPTNPC1RAB9AALDH1A1
Bromide SCHEMBL27533011 0.82 CYP1A2 (0.53) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL29331440 0.81 CYP1A2 (0.49) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL31054349 0.79 DCTPP1 (0.52) DCTPP1GAAKDM4EMAPTNPC1
SCHEMBL209506 0.79 GAA (0.49) GAAMGAMSIMGAM2KDM4E
SCHEMBL210344 0.79 DCTPP1 (0.52) DCTPP1GAAKDM4EMAPTNPC1
SCHEMBL10596042 0.74 GAA (0.75) GAAMGAMSIMGAM2KDM4E
SCHEMBL22005573 0.70 DCTPP1 (0.52) DCTPP1GAAMGAMSIMGAM2
SCHEMBL14819163 0.70 CCR1 (0.46) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL21988543 0.70 KDM4E (0.50) DCTPP1GAAKDM4EMAPTNPC1

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
US-8129090-B2 Process for on-press developable lithographic printing plate involving preheat TENG GARY GANGHUI (US) 2012-03-06 US disclosed