SCHEMBL9767366

SCHEMBL9767366

[CH]c1cc(Br)ccc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
GLA P06280 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 2/20 0.45
APP P05067 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 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
Ethyne SCHEMBL28045684 0.79 CA2 (0.52) TSHRGLASMN1; SMN2APPTDP1
SCHEMBL20509 0.78 CA2 (0.56) TSHRGLASMN1; SMN2APPTDP1
SCHEMBL29419589 0.78 CA2 (0.56) TSHRGLASMN1; SMN2APPTDP1
SCHEMBL1256865 0.76 CA2 (0.54) TSHRGLASMN1; SMN2APPTDP1
SCHEMBL2811536 0.76 CA2 (0.41) TSHRSMN1; SMN2GAAMAPK1ALDH1A1
SCHEMBL811943 0.76 MAPK1 (0.65) TSHRGLASMN1; SMN2TUBB1TDP1
SCHEMBL29697819 0.76 MAPK1 (0.65) TSHRGLASMN1; SMN2TUBB1TDP1
SCHEMBL14125145 0.76 GAA (0.56) TSHRGLASMN1; SMN2GAATDP1
SCHEMBL2090961 0.74 CA12 (0.62) ALDH1A1L3MBTL1CYP1A1CYP1A2CYP1B1
SCHEMBL30970345 0.74 NQO2 (0.47) TSHRGLASMN1; SMN2GAATDP1

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-0409931-A1 QUINUCLIDINE THERAPEUTIC AGENTS. PFIZER (US) 1991-01-30 EP disclosed
WO-1990005729-A1 QUINUCLIDINE THERAPEUTIC AGENTS PFIZER INC. (US) 1990-05-31 WO disclosed