SCHEMBL30907645

SCHEMBL30907645

Cc1cc(CCl)ncc1Br

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
PDE2A O00408 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
EGLN2 Q96KS0 1/20 0.31
UHRF1 Q96T88 1/20 0.30

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
SCHEMBL6486053 0.81 HCRTR1 (0.37) HCRTR1HCRTR2PDE2ANPC1CYP1A2
SCHEMBL16804955 0.79 DHFR (0.38) HCRTR1HCRTR2PDE2ANPC1CYP1A2
Hydrochloric Acid SCHEMBL10953059 0.78 NOS3 (0.43) SMN1; SMN2
SCHEMBL24760166 0.77 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL30707665 0.77 AHR (0.32)
SCHEMBL16783064 0.76 ALDH1A1 (0.33) HCRTR1HCRTR2PDE2ASMN1; SMN2NPC1
SCHEMBL27272806 0.75 KMT2A (0.34) MAPTUHRF1
SCHEMBL30907243 0.75 MEN1 (0.36) HCRTR1HCRTR2PDE2AMAPT
SCHEMBL27862145 0.75 HCRTR1 (0.34) HCRTR1HCRTR2PDE2A
SCHEMBL13859138 0.75 HCRTR1 (0.34) HCRTR1HCRTR2PDE2A

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-2024097953-A1 NAPHTHYRIDINE COMPOUNDS FOR INHIBITION OF RAF KINASES ENLIVEN INC. (US) 2024-05-10 WO disclosed