SCHEMBL5796374

SCHEMBL5796374

O=C(Cc1ccc(=O)[nH]n1)c1ccc(F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.46
P2RX7 Q99572 3/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
MAPK10 P53779 2/20 0.36
MAPK8 P45983 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 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
SCHEMBL4240902 0.86 AKR1B1 (0.45) AKR1B1KMT2AMEN1NPC1RAB9A
SCHEMBL4245618 0.77 RAB9A (0.51) AKR1B1KMT2AMEN1HPGDKDM4E
SCHEMBL7586348 0.73 PYGL (0.41) AKR1B1KMT2AMEN1NPC1RAB9A
SCHEMBL29872269 0.72 HPGD (0.46) P2RX7KMT2AMEN1HPGDALOX15
SCHEMBL23755069 0.72 HPGD (0.46) P2RX7KMT2AMEN1HPGDALOX15
SCHEMBL6599217 0.72 KMT2A (0.42) P2RX7KMT2AMEN1HPGDALDH1A1
SCHEMBL18451321 0.70 HPGD (0.50) P2RX7KMT2AHPGDALOX15NPC1
SCHEMBL3097093 0.70 SMN1; SMN2 (0.49) AKR1B1KMT2AMEN1HPGDALOX15
SCHEMBL3322169 0.69 PTPN1 (0.50) P2RX7KMT2AHPGDALOX15NPC1
SCHEMBL9423079 0.69 HPGD (0.49) P2RX7KMT2AHPGDALOX15NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006038734-A1 PYRIDAZINONE DERIVATIVES CYTOKINES INHIBITORS ASTELLAS PHARMA INC. (JP) 2006-04-13 WO disclosed