SCHEMBL7307354

SCHEMBL7307354

CCCCc1nc2c(C)cc(C(=O)OC)cc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
MGLL Q99685 1/20 0.40
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
ESR1 P03372 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR84 Q9NQS5 2/20 0.37
LMNA P02545 1/20 0.37
TUBB4A P04350 1/20 0.37
CYP1A2 P05177 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
TUBA1B P68363 1/20 0.37

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
SCHEMBL159894 0.92 ACACB (0.43) MAPTGAAPKMMGLLACACB
Hydrochloric Acid SCHEMBL14775596 0.91 ACACB (0.42) MAPTGAAPKMMGLLACACB
SCHEMBL25240714 0.83 SMN1; SMN2 (0.42) MAPTGAAPKMMGLLMEN1
SCHEMBL3707018 0.82 ACACB (0.43) MAPTACACBACACAESR1MEN1
SCHEMBL8632170 0.79 MAPT (0.64) MAPTGAAPKMKMT2AL3MBTL1
SCHEMBL6170448 0.78 KDM4E (0.45) GAAATML3MBTL1LMNASMN1; SMN2
SCHEMBL158112 0.78 ACACB (0.45) ACACBACACAKMT2AMAPK1KDM4E
SCHEMBL14855501 0.77 ACACB (0.43) ACACBACACAKMT2ACYP1A2KDM4E
SCHEMBL28048356 0.76 ACACB (0.44) MAPTACACBACACAKMT2AGPR84
SCHEMBL8848140 0.76 ACACB (0.44) ACACBACACAKMT2ACYP1A2KDM4E

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
EP-0502314-B1 Benzimidazol derivatives, medicaments containing them and process for their preparation THOMAE GMBH DR K (DE) 1998-05-20 EP disclosed
EP-0502314-A1 Benzimidazol, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-09 EP disclosed