SCHEMBL10655752

SCHEMBL10655752

O=S(=O)(O)CCN(Cc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
CYP2D6 P10635 1/20 0.46
GLA P06280 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
CYP2C19 P33261 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
PAX8 Q06710 1/20 0.44
NR3C1 P04150 2/20 0.43
ESR1 P03372 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
HSP90AA1 P07900 1/20 0.42
LTA4H P09960 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL10664734 0.90 TSHR (0.47) TSHRCYP2D6GLASMN1; SMN2LMNA
SCHEMBL7644045 0.87 HSP90AA1 (0.40) TSHRGLASMN1; SMN2CYP2C19NPC1
SCHEMBL11685227 0.87 MAPT (0.46) GLASMN1; SMN2LMNANPC1ALDH1A1
SCHEMBL11681177 0.85 NR3C1 (0.48) TSHRLMNANPC1ALDH1A1HTT
SCHEMBL11685169 0.85 NR3C1 (0.45) TSHRLMNAALDH1A1HTTNR3C1
SCHEMBL10663666 0.85 RAB9A (0.53) LMNACYP2C19NPC1ALDH1A1HTT
SCHEMBL10797259 0.85 RORC (0.43) LMNABLMPMP22NPC1ALDH1A1
SCHEMBL11682620 0.82 MTNR1A (0.64) LMNANR3C1CRHBPCRHR2
SCHEMBL6850621 0.81 TSHR (0.47) TSHRGLASMN1; SMN2CYP2C19NPC1
SCHEMBL10794576 0.81 ALDH1A1 (0.39) SMN1; SMN2LMNABLMNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4734490-A TEXTILE DYEING AND PRINTING CIBA-GEIGY CORPORATION (US) 1988-03-29 US disclosed
US-4652634-A Water-soluble monoazo compounds containing a N-(sulfoalkyl)-aniline coupling component and a fiber-reactive group of the vinylsulfonyl series in the phenyl or benzothiazole diazo component, suitable as fiber-reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-24 US disclosed
EP-0051563-B1 MONO-AZO COMPOUNDS CIBA-GEIGY AG (CH) 1985-04-24 EP disclosed
EP-0051807-B1 WATER-SOLUBLE DISAZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1985-02-13 EP disclosed
US-4447358-A FOR POLYAMIDE AND WOOL TEXTILE DYEING CIBA-GEIGY CORPORATION (US) 1984-05-08 US disclosed
US-4430259-A Water-soluble disazo compounds suitable as fiber-reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1984-02-07 US disclosed