SCHEMBL435751

SCHEMBL435751

O=S(=O)(O)CCCCN1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.48
SIGMAR1 Q99720 2/20 0.40
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
HSD17B10 Q99714 1/20 0.38
APP P05067 1/20 0.35
GNAI3 P08754 3/20 0.34
GNAO1 P09471 3/20 0.34
GNAI1 P63096 3/20 0.34
ANPEP P15144 1/20 0.34

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
Hydrochloric Acid SCHEMBL29631987 0.98 CXCR4 (0.47) CXCR4SIGMAR1LMNAKDM4ENPC1
Hydrochloric Acid SCHEMBL5865479 0.96 CXCR4 (0.50) CXCR4SIGMAR1LMNAKDM4ENPC1
SCHEMBL1647095 0.94 CXCR4 (0.47) CXCR4SIGMAR1LMNAKDM4ENPC1
Hydrochloric Acid SCHEMBL5865342 0.92 CXCR4 (0.46) CXCR4SIGMAR1LMNAKDM4ENPC1
Sulfuric Acid SCHEMBL29036120 0.92 CXCR4 (0.46) CXCR4SIGMAR1LMNAKDM4ENPC1
SCHEMBL342435 0.86 POLB (0.42) CXCR4SIGMAR1LMNAKDM4EALDH1A1
SCHEMBL4022137 0.86 APP (0.42) LMNAAPP
SCHEMBL29351189 0.85 CXCR4 (0.34) CXCR4APP
Trifluoromethanesulfonic Acid SCHEMBL29036126 0.84 CXCR4 (0.43) CXCR4SIGMAR1LMNAKDM4ENPC1
SCHEMBL10823165 0.84 POLB (0.41) CXCR4SIGMAR1LMNAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115521998-B Triazine type chromium-free tanning agent and preparation method and application thereof 南京工业大学 2024-01-02 CN disclosed
CN-115521998-A Triazine type chromium-free tanning agent and preparation method and application thereof 南京工业大学 2022-12-27 CN disclosed
EP-2823270-B1 pH SENSORS PROMEGA CORP (US) 2022-05-04 EP disclosed
US-9702824-B2 pH sensors PROMEGA CORPORATION (US) 2017-07-11 US disclosed
US-20150044776-A1 pH SENSORS PROMEGA CORPORATION (US) 2015-02-12 US disclosed