SCHEMBL29958832

SCHEMBL29958832

C=C(Cc1oc2cccc(F)c2c1C)C(=O)NC

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
RXFP1 Q9HBX9 1/20 0.34
KDM1A O60341 2/20 0.34
EDNRA P25101 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
NLRP3 Q96P20 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
P2RX7 Q99572 1/20 0.31
AR P10275 1/20 0.30
NMT2 O60551 1/20 0.30
NMT1 P30419 1/20 0.30
TTR P02766 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
SCHEMBL29958557 0.86 ALOX5 (0.48) ALOX5KDM1ANPC1MAPTRAB9A
SCHEMBL29958628 0.81 RAB9A (0.41) RXFP1NPC1RAB9A
SCHEMBL23532129 0.73 ALOX5 (0.40) ALOX5RXFP1KDM1AARNMT2
SCHEMBL29958779 0.72 SLC22A12 (0.43) GAASMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL23532178 0.71 KDM1A (0.52) RXFP1KDM1AEDNRAGAASMN1; SMN2
SCHEMBL23532137 0.68 EGFR (0.38) ALOX5KDM1AALDH1A1
SCHEMBL28851647 0.67 ALOX5 (0.38) ALOX5SMN1; SMN2KDM4EALDH1A1AR
SCHEMBL23532053 0.65 EDNRA (0.67) RXFP1KDM1AEDNRAKDM4EALDH1A1
SCHEMBL24324278 0.63 AR (0.40) ALOX5RXFP1KDM1AEDNRAGAA
SCHEMBL3978000 0.63 KCNH2 (0.43) RXFP1SMN1; SMN2KDM4EALDH1A1LMNA

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-115151541-A Novel compound and use thereof 德彪药业国际股份公司 2022-10-04 CN disclosed