SCHEMBL31256752

SCHEMBL31256752

O=c1ccc(-c2nnc(-c3cccc(Cl)c3)o2)n[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NOTUM Q6P988 3/20 0.56
PIM1 P11309 1/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CYP1A2 P05177 1/20 0.46
GUSB P08236 1/20 0.46
GPR119 Q8TDV5 1/20 0.43
AKR1B1 P15121 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.41
PLAT P00750 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL24039007 1.00 NPC1 (0.57) NPC1RAB9ATP53TSHRNFKB1
SCHEMBL4048920 0.82 CYP1A2 (0.62) NOTUMCYP1A2GPR119AKR1B1KMT2A
Bromide SCHEMBL11739258 0.81 CYP1A2 (0.61) NOTUMCYP1A2GPR119AKR1B1KMT2A
SCHEMBL12171925 0.81 MYC (0.49) NPC1RAB9ATSHRSMN1; SMN2CYP1A2
SCHEMBL30419948 0.79 MAPT (0.63) NPC1RAB9ATP53TSHRSMN1; SMN2
SCHEMBL25418543 0.79 MAPT (0.63) NPC1RAB9ATP53TSHRSMN1; SMN2
SCHEMBL18650263 0.79 NPC1 (0.89) NPC1RAB9ATP53TSHRNFKB1
SCHEMBL30420464 0.79 NOTUM (0.50) NPC1RAB9ATP53TSHRNFKB1
SCHEMBL25180877 0.79 NOTUM (0.50) NPC1RAB9ATP53TSHRNFKB1
SCHEMBL8889786 0.75 CYP1A2 (0.45) NOTUMCYP1A2GPR119AKR1B1KMT2A

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
EP-4149620-B1 PYRIDAZINONE COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISEASES EDGEWISE THERAPEUTICS INC (US) 2024-10-23 EP disclosed