SCHEMBL30464647

SCHEMBL30464647

CCCCOC(=O)C(=CC=CN1CCCCC1)S(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ TP53 P04637 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ POLB P06746 2/20 0.38
▸ LMNA P02545 2/20 0.37
▸ FKBP1A P62942 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36

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
SCHEMBL28727222 1.00 KMT2A (0.40) KMT2ASMN1; SMN2TP53MAPTNPC1
SCHEMBL28899832 0.95 TSHR (0.40) SMN1; SMN2TP53MAPTKDM4ETSHR
SCHEMBL31575386 0.88 ALDH1A1 (0.47) KMT2ASMN1; SMN2MAPTMAPK1ALDH1A1
SCHEMBL28727214 0.85 MEN1 (0.37) KMT2ASMN1; SMN2TP53MAPTNPC1
SCHEMBL13609926 0.83 ALDH1A1 (0.38) KMT2ASMN1; SMN2TP53MAPTNPC1
SCHEMBL12758251 0.83 KDM4E (0.36) SMN1; SMN2TP53MAPTKDM4ETSHR
SCHEMBL14097777 0.80 KDM4E (0.40) KMT2ASMN1; SMN2TP53RAB9AKDM4E
SCHEMBL24156033 0.80 LMNA (0.44) KMT2ASMN1; SMN2TP53MAPTNPC1
SCHEMBL14354775 0.80 ALDH1A1 (0.42) KMT2AMAPTNPC1RAB9ATSHR
SCHEMBL14261086 0.79 ALDH1A1 (0.38) KMT2ATP53KDM4ETSHRMAPK1

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-113582890-B Cyanine modified compound, intermediate, preparation method and application thereof 南京傅立叶生物医药科技有限公司 2023-06-20 — — CN disclosed
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