SCHEMBL30702135

SCHEMBL30702135

O=Cc1cn(-c2ccc(Cl)cc2Br)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
HTT P42858 1/20 0.35
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
S1PR4 O95977 2/20 0.33
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
ERN1 O75460 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 2/20 0.32
IDO1 P14902 1/20 0.31
HCAR1 Q9BXC0 2/20 0.30
APP P05067 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
SCHEMBL20359185 1.00 TSHR (0.35) TSHRHTTOPRM1OPRD1OPRK1
SCHEMBL20344947 0.82 MAPK14 (0.36) OPRM1S1PR4PSEN1PSEN2APH1B
SCHEMBL16054891 0.82 IDH1 (0.36) S1PR4PSEN1PSEN2APH1BNCSTN
SCHEMBL20359777 0.80 ALDH1A1 (0.35) TSHRHTTOPRM1OPRD1OPRK1
SCHEMBL30702162 0.80 ALDH1A1 (0.35) TSHRHTTOPRM1OPRD1OPRK1
SCHEMBL30702180 0.77 F11 (0.33) TSHRHTTOPRM1OPRD1OPRK1
SCHEMBL20360481 0.77 F11 (0.33) TSHRHTTOPRM1OPRD1OPRK1
SCHEMBL30702147 0.75 P2RX7 (0.45) TSHRHTTOPRM1OPRD1OPRK1
SCHEMBL18797501 0.75 P2RX7 (0.45) TSHRHTTOPRM1OPRD1OPRK1
SCHEMBL16043335 0.74 MAP4K4 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A

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
CN-113292539-B Substituted oxopyridine derivatives 拜耳制药股份公司 2023-12-22 CN disclosed