SCHEMBL29972750

SCHEMBL29972750

Brc1cccc2oc(-c3ccccc3)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.56
RAB9A P51151 7/20 0.56
HIF1A Q16665 1/20 0.56
TOP2A P11388 2/20 0.47
NPC1 O15118 6/20 0.42
CASP3 P42574 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 1/20 0.42
SENP8 Q96LD8 1/20 0.42
RCE1 Q9Y256 1/20 0.42
TP53 P04637 4/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 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
SCHEMBL22085386 1.00 SMN1; SMN2 (0.56) SMN1; SMN2RAB9AHIF1ATOP2ANPC1
SCHEMBL23387540 0.88 RAB9A (0.46) SMN1; SMN2RAB9AHIF1ANPC1KDM4E
SCHEMBL31540288 0.82 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AHIF1ATOP2ANPC1
SCHEMBL19643659 0.81 NPC1 (0.60) SMN1; SMN2RAB9ANPC1KDM4EHPGD
SCHEMBL27339317 0.81 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AHIF1ATOP2ANPC1
SCHEMBL13426675 0.81 RAB9A (0.40) SMN1; SMN2RAB9AHIF1ATOP2ANPC1
SCHEMBL1618212 0.80 TOP2A (0.58) SMN1; SMN2RAB9AHIF1ATOP2ANPC1
SCHEMBL31540287 0.80 RCE1 (0.48) SMN1; SMN2RAB9AHIF1ATOP2ANPC1
SCHEMBL31476977 0.79 RAB9A (0.61) SMN1; SMN2RAB9AHIF1ANPC1CASP3
SCHEMBL10065161 0.79 KDM4E (0.39) SMN1; SMN2RAB9AHIF1ATOP2ANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115304615-B Heterocyclic compound, organic electroluminescent device, and electronic device 陕西莱特光电材料股份有限公司 2023-07-14 CN disclosed
CN-115304615-A Heterocyclic compound, organic electroluminescent element, and electronic device 陕西莱特光电材料股份有限公司 2022-11-08 CN disclosed