SCHEMBL24671180

SCHEMBL24671180

Cc1cc(N2CCN(C(=N)N)CC2)ccc1C(=O)Nc1ccc(N2CCN(C(=N)N)CC2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
ALDH1A1 P00352 7/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50
MCL1 Q07820 1/20 0.50
RAB9A P51151 6/20 0.46
APOBEC3A P31941 2/20 0.46
APOBEC3G Q9HC16 2/20 0.46
RAD52 P43351 1/20 0.46
NPC1 O15118 5/20 0.46
NPY2R P49146 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
GAA P10253 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 4/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL29802918 1.00 MAPT (0.50) MAPTALDH1A1KMT2AKDM4EGLA
SCHEMBL29802966 0.89 MAPT (0.55) MAPTALDH1A1KMT2AKDM4EMCL1
SCHEMBL29803013 0.85 NPC1 (0.58) MAPTALDH1A1KMT2AKDM4EMCL1
SCHEMBL24891925 0.84 NPC1 (0.60) MAPTALDH1A1KMT2AKDM4EGLA
SCHEMBL30180770 0.84 NPC1 (0.60) MAPTALDH1A1KMT2AKDM4EGLA
SCHEMBL29803543 0.83 MAPT (0.55) MAPTALDH1A1KMT2AKDM4EGLA
SCHEMBL24669340 0.83 MAPT (0.55) MAPTALDH1A1KMT2AKDM4EGLA
SCHEMBL29802893 0.83 MAPT (0.46) MAPTALDH1A1KMT2AKDM4EGLA
SCHEMBL29803630 0.82 ALDH1A1 (0.54) MAPTALDH1A1KMT2AKDM4EGLA
SCHEMBL29802994 0.82 CHRM1 (0.44) MAPTKMT2ARAB9AAPOBEC3AAPOBEC3G

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
WO-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 WO disclosed