SCHEMBL8311758

SCHEMBL8311758

Nc1cc(Cl)cc(OCCNC(=O)C(F)(F)F)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 1/20 0.36
RHOC P08134 1/20 0.35
RHOA P61586 1/20 0.35
CA3 P07451 2/20 0.34
CA5A P35218 2/20 0.34
CA5B Q9Y2D0 2/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 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
SCHEMBL8527274 0.65 KMT2A (0.41) ALDH1A1SMN1; SMN2MEN1KMT2APKM
SCHEMBL38654908 0.65 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL6382771 0.64 MTNR1A (0.65) SMN1; SMN2POLBPKMNPC1RAB9A
SCHEMBL6565977 0.63 TSHR (0.58) ALDH1A1RAB9ACA12CA2CA4
SCHEMBL10070607 0.63 PKM (0.41) ALDH1A1SMN1; SMN2MEN1KMT2APKM
SCHEMBL23568434 0.63 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KMT2APOLBNPC1
SCHEMBL28696934 0.62 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL19399650 0.62 CA3 (0.56) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL11570722 0.62 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL27202277 0.62 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A

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-0964853-A1 4-AMINOALKOXY-1,3-DIHYDROBENZOIMIDAZOL-2-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE AUTORECEPTOR (D2) AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-22 EP disclosed
WO-1998035946-A1 4-AMINOALKOXY-1,3-DIHYDROBENZOIMIDAZOL-2-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE AUTORECEPTOR (D2) AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-08-20 WO disclosed