SCHEMBL27416539

SCHEMBL27416539

CCOC(=O)c1cccc(N)c1N(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.66
HSD17B10 Q99714 7/20 0.66
TSHR P16473 2/20 0.56
CDC25B P30305 4/20 0.52
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
ALOX15 P16050 3/20 0.46
RAB9A P51151 3/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 2/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 2/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CYP1A2 P05177 3/20 0.44
LMNA P02545 2/20 0.44

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
SCHEMBL9695883 0.86 ALDH1A1 (0.64) ALDH1A1HSD17B10TSHRCDC25BMAPT
SCHEMBL28698803 0.83 TSHR (0.58) ALDH1A1HSD17B10TSHRCDC25BMAPT
SCHEMBL9817857 0.82 ALDH1A1 (0.62) ALDH1A1HSD17B10TSHRMAPTALOX15
SCHEMBL27961433 0.81 ALDH1A1 (0.53) ALDH1A1HSD17B10TSHRCDC25BMAPT
SCHEMBL717606 0.80 ALDH1A1 (0.74) ALDH1A1HSD17B10TSHRCDC25BMAPT
SCHEMBL2925689 0.80 ALDH1A1 (0.74) ALDH1A1HSD17B10TSHRCDC25BMAPT
SCHEMBL23703977 0.80 ALDH1A1 (0.51) ALDH1A1HSD17B10TSHRCDC25BMAPT
Ethyl Anthranilate SCHEMBL34474 0.80 ALDH1A1 (1.00) ALDH1A1HSD17B10TSHRCDC25BMAPT
Ethyl Anthranilate SCHEMBL30055126 0.80 ALDH1A1 (1.00) ALDH1A1HSD17B10TSHRCDC25BMAPT
SCHEMBL177310 0.79 ALDH1A1 (0.72) ALDH1A1HSD17B10TSHRCDC25BMAPT

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
CN-1115336-C 1-phenyl-benzimidazole compounds and their use as BAGA-A receptor modulator NEUROSEARCH AS (DK) 2003-07-23 CN disclosed
CN-1234025-A 1-phenyl-benzimidazole compounds and their use as BAGA-A receptor modulator NEUROSEARCH AS (DK) 1999-11-03 CN disclosed