SCHEMBL11544248

SCHEMBL11544248

COC(=O)c1cc(N)c(Oc2ccccc2)c(N2C(=O)CCC2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.45
NPC1 O15118 3/20 0.45
MAPK1 P28482 1/20 0.44
USP2 O75604 2/20 0.41
KDM4E B2RXH2 7/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 5/20 0.39
HPGD P15428 4/20 0.39
GAA P10253 2/20 0.39
PKM P14618 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL11543053 0.84 ALDH1A1 (0.56) KMT2AMAPK1USP2KDM4ESMN1; SMN2
SCHEMBL11543235 0.82 KDM4E (0.58) KMT2ANPC1USP2KDM4ESMN1; SMN2
SCHEMBL16577889 0.82 KMT2A (0.42) KMT2AMAPK1KDM4ESMN1; SMN2RAB9A
SCHEMBL11542192 0.82 MAPT (0.48) KMT2AMAPK1KDM4ESMN1; SMN2NPSR1
SCHEMBL11545452 0.82 USP2 (0.54) NPC1USP2KDM4ESMN1; SMN2RAB9A
SCHEMBL11550368 0.81 ALDH1A1 (0.43) KMT2AMAPK1USP2KDM4ESMN1; SMN2
SCHEMBL11543213 0.81 ALDH1A1 (0.57) KMT2AMAPK1USP2KDM4ESMN1; SMN2
SCHEMBL11543216 0.76 ALDH1A1 (0.39) KMT2ANPC1MAPK1USP2KDM4E
SCHEMBL11544815 0.76 ALDH1A1 (0.46) KMT2AUSP2KDM4ENPSR1ALDH1A1
SCHEMBL11547865 0.75 LMNA (0.46) KMT2AUSP2KDM4ENPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4161531-A Diuretic and saluretic 5-sulfamoylbenzoic acid derivatives carrying a heterocyclic substituent HOECHST AKTIENGESELLSCHAFT (DE) 1979-07-17 US disclosed
US-4118397-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed
US-4111953-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1978-09-05 US disclosed
US-4093735-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DT) 1978-06-06 US disclosed
US-4010273-A DIURETICS, SALURETICS HOECHST AKTIENGESELLSCHAFT (DT) 1977-03-01 US disclosed