SCHEMBL24670017

SCHEMBL24670017

Cc1cc(NC(=O)c2ccc(C3=CCN(C(=N)N)CC3)cc2F)ccc1N1CCN(C(=N)N)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 3/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 5/20 0.41
APOBEC3A P31941 2/20 0.41
APOBEC3G Q9HC16 2/20 0.41
RAD52 P43351 1/20 0.41
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 4/20 0.40
TMPRSS2 O15393 2/20 0.39
NPY2R P49146 2/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 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
SCHEMBL29802900 1.00 MAPT (0.43) MAPTSMN1; SMN2HTTMAPK1KMT2A
SCHEMBL24671018 0.92 SMN1; SMN2 (0.43) MAPTSMN1; SMN2HTTMAPK1KMT2A
SCHEMBL29802868 0.90 CHRM1 (0.42) MAPTSMN1; SMN2HTTMAPK1KMT2A
SCHEMBL29802911 0.90 TMPRSS2 (0.41) MAPTSMN1; SMN2HTTMAPK1KMT2A
SCHEMBL29802891 0.88 APOBEC3A (0.49) MAPTSMN1; SMN2HTTMAPK1KMT2A
SCHEMBL24671336 0.88 TMPRSS2 (0.52) MAPTSMN1; SMN2RAB9AAPOBEC3AAPOBEC3G
SCHEMBL24669288 0.85 NAMPT (0.49) MAPTSMN1; SMN2HTTMAPK1KMT2A
SCHEMBL29803668 0.85 NAMPT (0.49) MAPTSMN1; SMN2HTTMAPK1KMT2A
SCHEMBL29803358 0.83 TMPRSS2 (0.47) MAPTRAB9AAPOBEC3AAPOBEC3GL3MBTL1
SCHEMBL24671333 0.83 MAPT (0.41) MAPTSMN1; SMN2HTTKMT2ARAB9A

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