SCHEMBL18640720

SCHEMBL18640720

O=C(Nc1ncccc1C(=O)O)c1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.65
KDM4E B2RXH2 2/20 0.55
HTT P42858 1/20 0.53
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
MITF O75030 1/20 0.50
P4HTM Q9NXG6 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
PPARG P37231 1/20 0.49
NCOA2 Q15596 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
ATM Q13315 1/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL3820618 0.88 HTT (0.66) DHODHKDM4EHTTRAB9ANPC1
SCHEMBL18640742 0.86 DHODH (0.57) DHODHHTTRAB9ANPC1KMT2A
SCHEMBL18640754 0.85 RAB9A (0.65) DHODHHTTRAB9ANPC1CYP11B1
SCHEMBL18640758 0.85 NPC1 (0.61) DHODHKDM4EHTTRAB9ANPC1
SCHEMBL6612630 0.85 HTT (0.56) DHODHKDM4EHTTRAB9ANPC1
SCHEMBL18640743 0.83 HTT (0.61) DHODHHTTRAB9ANPC1KMT2A
SCHEMBL18640731 0.82 RAB9A (0.67) HTTRAB9ANPC1KMT2AALDH1A1
SCHEMBL18640738 0.81 KDR (0.57) KDM4EHTTRAB9ANPC1CYP11B1
SCHEMBL18640739 0.81 KDR (0.57) KDM4EHTTRAB9ANPC1CYP11B1
SCHEMBL7497000 0.81 DHODH (0.56) DHODHKDM4EHTTRAB9ANPC1

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-3362436-B1 PROCESS FOR THE CATALYTIC DIRECTED CLEAVAGE OF AMIDE-CONTAINING COMPOUNDS UNIV ANTWERPEN (BE) 2021-06-30 EP disclosed
EP-3362436-A1 PROCESS FOR THE CATALYTIC DIRECTED CLEAVAGE OF AMIDE-CONTAINING COMPOUNDS Universiteit Antwerpen (BE) 2018-08-22 EP disclosed
WO-2017046133-A1 PROCESS FOR THE CATALYTIC DIRECTED CLEAVAGE OF AMIDE-CONTAINING COMPOUNDS UNIVERSITEIT ANTWERPEN (BE) 2017-03-23 WO disclosed