SCHEMBL28836433

SCHEMBL28836433

c1ccc(-c2ccccc2Cc2cc3ccccc3[nH]2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.49
LOXL2 Q9Y4K0 1/20 0.44
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
PKM P14618 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
GUSB P08236 2/20 0.43
METAP2 P50579 2/20 0.43
METAP1 P53582 2/20 0.43
HPGD P15428 2/20 0.43
MTOR P42345 1/20 0.43
PCSK9 Q8NBP7 6/20 0.43
CBFB Q13951 2/20 0.43
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
MPO P05164 1/20 0.40

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
SCHEMBL21666537 0.77 KDM4E (0.54) NPC1LMNAPKMRAB9ASMN1; SMN2
SCHEMBL11225248 0.76 IDO1 (0.55) AHRLOXL2GUSBPCSK9
SCHEMBL28338445 0.73 LOXL2 (0.69) AHRLOXL2PCSK9
SCHEMBL401081 0.73 LOXL2 (0.69) AHRLOXL2PCSK9
SCHEMBL29403791 0.73 LOXL2 (0.69) AHRLOXL2PCSK9
SCHEMBL3292198 0.72 KDR (0.58) NPC1LMNARAB9ASMN1; SMN2KDM4E
SCHEMBL30292814 0.72 KDR (0.58) NPC1LMNARAB9ASMN1; SMN2KDM4E
SCHEMBL7490425 0.71 PCSK9 (0.63) AHRLOXL2PCSK9
SCHEMBL31672301 0.71 AHR (0.62) AHRLOXL2GUSBPCSK9
SCHEMBL7499115 0.71 PCSK9 (0.63) AHRLOXL2PCSK9

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-114989197-A Organic electroluminescent material and device 环球展览公司 2022-09-02 CN disclosed