SCHEMBL29436997

SCHEMBL29436997

O=c1c2ccccc2ncn1-c1ccccc1O

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.64
RAB9A P51151 2/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 2/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
HIF1A Q16665 1/20 0.47
BTK Q06187 1/20 0.47

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
SCHEMBL19409427 1.00 POLB (0.64) POLBRAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL6753728 0.82 POLB (0.62) POLBRAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL16586798 0.82 POLB (0.67) POLBRAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL23525602 0.81 POLB (0.58) POLBRAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL29440654 0.81 POLB (0.58) POLBRAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL10972297 0.80 KMT2A (0.74) POLBRAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL3563363 0.80 POLB (0.57) POLBRAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL29025387 0.79 POLB (0.56) POLBRAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4462170 0.79 ESR2 (0.72) POLBRAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL30516947 0.78 POLB (0.58) POLBRAB9AKMT2AMEN1SMN1; SMN2

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-114206312-A Topical compositions and methods for treating inflammatory skin disorders 阿佐拉治疗股份有限公司 2022-03-18 CN disclosed
EP-3955889-A1 TOPICAL COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY SKIN DISEASES AZORA THERAPEUTICS, INC. (US) 2022-02-23 EP disclosed