SCHEMBL10734845

SCHEMBL10734845

Cc1cc(OCc2ccccc2)cc(Cl)c1NC(=O)NC(=N)N

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.47
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
ALDH1A1 P00352 1/20 0.43
BACE1 P56817 1/20 0.41
FFAR1 O14842 1/20 0.41
MCL1 Q07820 1/20 0.41
BAK1 Q16611 1/20 0.41
PARP10 Q53GL7 1/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
LTA4H P09960 2/20 0.40

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
SCHEMBL10732187 0.92 MEN1 (0.48) MRGPRX4MEN1KMT2ARAB9ANPC1
Hydrochloric Acid SCHEMBL10735781 0.91 MRGPRX4 (0.45) MRGPRX4MEN1KMT2ARAB9ANPC1
SCHEMBL10732909 0.87 ALDH1A1 (0.44) MRGPRX4MEN1KMT2ARAB9ANPC1
SCHEMBL11412285 0.83 TSHR (0.42) MEN1KMT2AALDH1A1MCL1
SCHEMBL10907005 0.82 NPC1 (0.46) MRGPRX4MEN1KMT2ARAB9ANPC1
SCHEMBL7171205 0.81 S1PR4 (0.40) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL10905808 0.81 MRGPRX4 (0.42) MRGPRX4MEN1KMT2ARAB9ANPC1
SCHEMBL10905417 0.81 MRGPRX4 (0.44) MRGPRX4MEN1KMT2ARAB9ANPC1
SCHEMBL10734513 0.80 CLCN2 (0.47) MRGPRX4SMN1; SMN2BACE1MCL1
Hydrochloric Acid SCHEMBL10907709 0.80 MRGPRX4 (0.44) MRGPRX4MEN1KMT2ARAB9ANPC1

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-4704401-A HYPOTENSIVE AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1987-11-03 US disclosed
US-4487779-A HYPOTENSIVE AGENTS WILLIAM H. RORER, INC. (US) 1984-12-11 US disclosed