SCHEMBL9501792

SCHEMBL9501792

[CH2]c1ccc(Oc2cc(C)ccc2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
SLC6A4 P31645 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 2/20 0.38
ACHE P22303 1/20 0.38
TEAD4 Q15561 1/20 0.36
LMNA P02545 2/20 0.36
AR P10275 1/20 0.36
HTT P42858 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL2090838 0.85 SLC6A4 (0.40) SLC6A4TDP1GAAACHETEAD4
SCHEMBL5608759 0.82 GAA (0.55) KMT2ATDP1GAAACHELMNA
SCHEMBL6150468 0.81 KMT2A (0.48) KMT2ASLC6A4SLC6A2SLC6A3TDP1
SCHEMBL5545716 0.80 ALDH1A1 (0.44) KMT2ASLC6A4SLC6A2SLC6A3TDP1
SCHEMBL5608623 0.80 SLC6A4 (0.47) KMT2ASLC6A4SLC6A2SLC6A3TDP1
SCHEMBL30695769 0.80 TSHR (0.50) KMT2ATDP1GAATSHRACHE
SCHEMBL822665 0.80 TSHR (0.50) KMT2ATDP1GAATSHRACHE
SCHEMBL3278966 0.79 ACHE (0.50) KMT2ATDP1GAATSHRACHE
SCHEMBL9487542 0.78 ALDH1A1 (0.47) KMT2ATDP1GAATSHRACHE
SCHEMBL14586639 0.78 AR (0.51) KMT2ASLC6A4TDP1ACHETEAD4

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-0186190-B1 BENZIMIDAZOLE DERIVATIVES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-05-26 EP disclosed
EP-0186190-A2 Benzimidazole derivatives, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-07-02 EP disclosed