SCHEMBL24928429

SCHEMBL24928429

C=Cc1cc(C)ccc1NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
GFER P55789 1/20 0.46
HIF1A Q16665 1/20 0.46
NOS2 P35228 1/20 0.45
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CRHBP P24387 1/20 0.43
CYP2C19 P33261 1/20 0.43
CRHR2 Q13324 1/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL16978736 0.80 HSD17B10 (0.53) HTTKMT2AMAPTMEN1KDM4E
SCHEMBL20161244 0.78 CYP3A4 (0.38) HTTSMN1; SMN2GFERKMT2AMAPT
SCHEMBL11175667 0.78 MAPT (0.61) HTTSMN1; SMN2LMNARAB9AGFER
SCHEMBL29505194 0.76 MAPT (0.49) SMN1; SMN2LMNAKMT2AMAPTMEN1
SCHEMBL22719716 0.76 MAPT (0.49) SMN1; SMN2LMNAKMT2AMAPTMEN1
SCHEMBL1040774 0.76 HDAC6 (0.68) HTTSMN1; SMN2LMNARAB9AGFER
SCHEMBL6130238 0.76 IDO1 (0.56) HTTSMN1; SMN2LMNARAB9AGFER
SCHEMBL29353516 0.76 HDAC6 (0.68) HTTSMN1; SMN2LMNARAB9AGFER
SCHEMBL30023202 0.76 HTT (0.53) HTTSMN1; SMN2LMNARAB9AGFER
SCHEMBL7599961 0.75 SMN1; SMN2 (0.49) HTTSMN1; SMN2LMNARAB9AGFER

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-2023009982-A1 SMALL MOLECULE INHIBITION OF DEUBIQUITINATING ENZYME JOSEPHIN DOMAIN CONTAINING 1 (JOSD1) AS A TARGETED THERAPY FOR LEUKEMIAS WITH MUTANT JANUS KINASE 2 (JAK2) DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-02-02 WO disclosed