SCHEMBL8099535

SCHEMBL8099535

CCNC(=O)NC([C]=O)=Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
AKR1C3 P42330 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 3/20 0.38
PLIN1 O60240 1/20 0.38
PLIN5 Q00G26 1/20 0.38
ABHD5 Q8WTS1 1/20 0.38
MME P08473 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36

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
SCHEMBL6971894 0.81 KMT2A (0.42) RECQLMEN1KMT2AMTNR1AMTNR1B
SCHEMBL8722188 0.79 MEN1 (0.39) RECQLMEN1KMT2AMTNR1AMTNR1B
SCHEMBL5238931 0.79 AKR1C3 (0.48) RECQLMEN1KMT2AMTNR1AMTNR1B
SCHEMBL7663086 0.78 ALDH1A1 (0.61) MEN1KMT2AALDH1A1POLBNPC1
SCHEMBL7663170 0.77 RECQL (0.41) RECQLMEN1KMT2AMTNR1AMTNR1B
SCHEMBL7661454 0.77 MTNR1A (0.55) RECQLMTNR1AMTNR1BALDH1A1POLB
SCHEMBL7662670 0.76 RECQL (0.47) RECQLMEN1KMT2AMTNR1AMTNR1B
SCHEMBL7668480 0.76 RECQL (0.40) RECQLMEN1KMT2AMTNR1AMTNR1B
SCHEMBL7670340 0.76 ALDH1A1 (0.44) RECQLMEN1KMT2AALDH1A1POLB
SCHEMBL7654774 0.76 RECQL (0.41) RECQLMEN1KMT2AMTNR1AMTNR1B

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
US-6140341-A FOR TREATING PAIN HOECHST AKTIENGESELLSCHAFT (DE) 2000-10-31 US disclosed
EP-0795547-B1 (Aminoalkyl- and acylaminoalkyl-oxy)benzyloxyquinolines, process for their preparation and use as Bradykinin receptor antagonists HOECHST AG (DE) 2000-05-10 EP disclosed
EP-0795547-A1 (Aminoalkyl- and acylaminoalkyl-oxy)benzyloxyquinolines, process for their preparation and use as Bradykinin receptor antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-17 EP disclosed