SCHEMBL9776100

SCHEMBL9776100

CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC)cc4)CC3)nc2)c1=O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.80
SMN1; SMN2 Q16637 3/20 0.61
ALDH1A1 P00352 2/20 0.61
LMNA P02545 2/20 0.61
KDM4E B2RXH2 1/20 0.61
GAA P10253 1/20 0.61
HTT P42858 1/20 0.61
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
DGAT1 O75907 1/20 0.49
CYP3A4 P08684 11/20 0.48
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ABCB11 O95342 1/20 0.42
FYN P06241 1/20 0.42
ABCB1 P08183 1/20 0.42
CXCR1 P25024 1/20 0.42
TACR1 P25103 1/20 0.42
MAPK1 P28482 1/20 0.42
AVPR2 P30518 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
SCHEMBL9775965 0.93 MAPT (0.78) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL9284781 0.90 MAPT (1.00) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL2548018 0.90 MAPT (1.00) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL3120176 0.90 MAPT (1.00) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL9775989 0.88 MAPT (0.80) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL14764536 0.82 MAPT (0.85) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL19738655 0.82 MAPT (0.81) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL8931730 0.81 MAPT (0.54) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL9776127 0.81 MAPT (0.78) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL9380527 0.80 MAPT (0.77) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5023258-A Triazole antifungal agents PFIZER INC. (US) 1991-06-11 US disclosed
EP-0352946-A1 Triazole antifungal agents Pfizer Limited (GB) 1990-01-31 EP disclosed