SCHEMBL6929116

SCHEMBL6929116

COc1ccc(C(O)c2c[nH]cn2)cc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.38
AAK1 Q2M2I8 1/20 0.37
CTSA P10619 5/20 0.37
IDO1 P14902 2/20 0.36
ACHE P22303 1/20 0.35
KIT P10721 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
TOP2A P11388 1/20 0.35
TOP2B Q02880 1/20 0.35
CNR2 P34972 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
SCHEMBL7098179 0.80 ALDH1A1 (0.38) LMNAGAAHTTSMN1; SMN2KMT2A
SCHEMBL7159601 0.80 ACHE (0.38) LMNAGAAHTTSMN1; SMN2KMT2A
SCHEMBL7159560 0.80 ROCK2 (0.38) LMNAGAAHTTSMN1; SMN2KMT2A
SCHEMBL5689270 0.79 CTSA (0.44) SMN1; SMN2AAK1CTSAIDO1ACHE
SCHEMBL7161306 0.77 ACHE (0.38) LMNAGAAHTTSMN1; SMN2KMT2A
SCHEMBL7228596 0.77 ACHE (0.38) LMNAGAAHTTSMN1; SMN2KMT2A
SCHEMBL11051393 0.74 SMN1; SMN2 (0.45) LMNASMN1; SMN2KMT2AIDO1ACHE
SCHEMBL5752958 0.74 SRD5A1 (0.44) GAASMN1; SMN2KMT2A
SCHEMBL1906698 0.73 KDM4E (0.42) LMNAHTTSMN1; SMN2KMT2A
SCHEMBL7247069 0.73 ADRB3 (0.43) SMN1; SMN2KMT2A

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
US-6518257-B1 1-substituted phenyl-1-(1h-imidazol-4-yl) alcohols, process for producing the same and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-02-11 US disclosed
EP-1227086-A1 1-SUBSTITUTED PHENYL-1-(1H-IMIDAZOL-4-YL) ALCOHOLS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-07-31 EP disclosed