SCHEMBL9505403

SCHEMBL9505403

CC(=O)Nc1cccc(OC(C)OCN)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 2/20 0.49
AHR P35869 1/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
TSHR P16473 3/20 0.47
HSD17B10 Q99714 2/20 0.47
POLB P06746 1/20 0.47
NR4A1 P22736 1/20 0.47
HCRTR1 O43613 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.46
PLAU P00749 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL9505261 0.86 MTNR1B (0.52) SMN1; SMN2RAB9AALDH1A1MTNR1AMTNR1B
SCHEMBL27588285 0.81 ALDH1A1 (0.56) SMN1; SMN2RAB9ANPC1ALDH1A1AHR
SCHEMBL9504353 0.81 RAB9A (0.65) SMN1; SMN2RAB9ANPC1ALDH1A1AHR
SCHEMBL17680726 0.81 CA2 (0.58) SMN1; SMN2RAB9ANPC1ALDH1A1MTNR1A
SCHEMBL9503172 0.80 MTNR1A (0.38) SMN1; SMN2ALDH1A1MTNR1AMTNR1BMEN1
SCHEMBL19732837 0.75 BRAF (0.64) SMN1; SMN2RAB9ANPC1ALDH1A1AHR
SCHEMBL11438891 0.75 NR1H4 (0.62) SMN1; SMN2RAB9ANPC1AHRMTNR1A
SCHEMBL27420326 0.75 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1ALDH1A1AHR
SCHEMBL2000945 0.74 KMT2A (0.63) SMN1; SMN2RAB9ANPC1ALDH1A1AHR
SCHEMBL11546092 0.74 SMN1; SMN2 (0.68) SMN1; SMN2RAB9ANPC1ALDH1A1AHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0328968-B1 PROCESS FOR THE PREPARATION OF 4-ACYLAMINO-2-AMINO ALKOXY BENZENES HOECHST AKTIENGESELLSCHAFT (DE) 1993-05-12 EP disclosed
US-5047586-A Process for the preparation of 4-acylamino-2-aminoalkoxybenzenes HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-10 US disclosed
EP-0328968-A2 Process for the preparation of 4-acylamino-2-amino alkoxy benzenes HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-23 EP disclosed