SCHEMBL7897464

SCHEMBL7897464

Cc1sc2ncc(C(=O)/C=C/c3ccccc3)n2c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
LMNA P02545 4/20 0.44
KMT2A Q03164 3/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1B1 Q16678 4/20 0.43
DCTPP1 Q9H773 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
ENPP3 O14638 1/20 0.42
ALPL P05186 1/20 0.42
XIAP P98170 1/20 0.42
MAOB P27338 3/20 0.42
BCHE P06276 2/20 0.42
PLIN1 O60240 1/20 0.42
TNFRSF1A P19438 1/20 0.42
ACHE P22303 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
SCHEMBL7327647 1.00 MAPT (0.44) MAPTLMNAKMT2ARAB9AALDH1A1
SCHEMBL7337732 0.77 HDAC4 (0.56) MAPTLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL1398873 0.76 DCTPP1 (0.44) MAPTKMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL7339811 0.74 DCTPP1 (0.43) MAPTLMNAKMT2ARAB9AALDH1A1
SCHEMBL7339805 0.74 DCTPP1 (0.43) MAPTLMNAKMT2ARAB9AALDH1A1
SCHEMBL7332530 0.73 DCTPP1 (0.41) RAB9AALDH1A1SMN1; SMN2DCTPP1KDM4E
SCHEMBL7330150 0.72 DCTPP1 (0.43) MAPTRAB9AALDH1A1SMN1; SMN2DCTPP1
SCHEMBL7338245 0.70 DCTPP1 (0.49) MAPTLMNAALDH1A1SMN1; SMN2DCTPP1
SCHEMBL8664744 0.67 MAPT (0.68) MAPTLMNAKMT2ARAB9AALDH1A1
SCHEMBL8664746 0.67 MAPT (0.68) MAPTLMNAKMT2ARAB9AALDH1A1

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-6191124-B1 VIRICIDES PHARMACIA & UPJOHN COMPANY 2001-02-20 US disclosed