SCHEMBL8524839

SCHEMBL8524839

Cc1cc2c(cc1C(=O)CCl)CCCC(=O)N2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 2/20 0.38
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
KIF11 P52732 1/20 0.35
THRB P10828 1/20 0.35
GSK3B P49841 1/20 0.34

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
SCHEMBL9366701 0.92 PKM (0.41) MAPTALDH1A1PKMSMN1; SMN2RAB9A
SCHEMBL29003189 0.86 MAPK1 (0.40) MAPTPKMAKR1C4AKR1C3AKR1C2
SCHEMBL13417634 0.85 EPHX2 (0.44) MAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL5467106 0.78 MAPT (0.52) MAPTALDH1A1AKR1C4AKR1C3AKR1C2
SCHEMBL8525367 0.76 SMN1; SMN2 (0.38) MAPTALDH1A1SMN1; SMN2MEN1RAB9A
SCHEMBL9372030 0.76 SMYD3 (0.43) MAPTALDH1A1PKMMAPK1
SCHEMBL8524437 0.76 P2RX7 (0.38) MAPTALDH1A1PKMAKR1C4AKR1C3
SCHEMBL9562601 0.75 PKM (0.41) MAPTALDH1A1PKMKIF11
SCHEMBL1024704 0.74 CRBN (0.43) ALDH1A1PKM
SCHEMBL9371968 0.73 RARB (0.43) MAPTALDH1A1MAPK1SMN1; SMN2LMNA

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-1999015524-A1 THIAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-04-01 WO disclosed