SCHEMBL8990090

SCHEMBL8990090

CC(=O)SC(C)=NCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ GRIN1 Q05586 2/20 0.46
▸ GRIN2B Q13224 2/20 0.46
▸ TAAR1 Q96RJ0 3/20 0.46
▸ TSHR P16473 4/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HIF1A Q16665 2/20 0.45
▸ SLC22A2 O15244 1/20 0.45
▸ SLC22A1 O15245 1/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ ADRA2B P18089 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ PDE3A Q14432 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL29410307 0.77 ALDH1A1 (0.52) ALDH1A1GRIN1GRIN2BTAAR1TSHR
SCHEMBL7442647 0.73 ALDH1A1 (0.62) ALDH1A1ADRA1ASLC6A3SMN1; SMN2MAPT
SCHEMBL8393618 0.72 ALDH1A1 (0.61) ALDH1A1GRIN1GRIN2BTAAR1TSHR
SCHEMBL21966469 0.71 ALDH1A1 (0.53) ALDH1A1GRIN1GRIN2BTAAR1TSHR
SCHEMBL28775033 0.71 GRIN1 (0.61) ALDH1A1GRIN1GRIN2BTAAR1TSHR
SCHEMBL23366564 0.70 TSHR (0.69) GRIN1GRIN2BTAAR1TSHRLMNA
Acetic Acid SCHEMBL7431776 0.70 ALDH1A1 (0.70) ALDH1A1LMNAADRA1ASLC6A3SMN1; SMN2
Acetone SCHEMBL3486840 0.70 ALDH1A1 (0.70) ALDH1A1LMNAADRA1ASLC6A3SMN1; SMN2
SCHEMBL6882189 0.70 ALDH1A1 (0.57) ALDH1A1TAAR1ADRA1ASLC6A3SMN1; SMN2
SCHEMBL3103042 0.69 GRIN1 (0.50) ALDH1A1GRIN1GRIN2BTAAR1TSHR

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
US-5563250-A Cleavable conjugates for the delivery and release of agents in native form NEORX CORPORATION (US) 1996-10-08 — — US disclosed
US-5141648-A Methods for isolating compounds using cleavable linker bound matrices NEORX CORPORATION (US) 1992-08-25 — — US disclosed
EP-0318948-B1 CLEAVABLE IMMUNOCONJUGATES FOR THE DELIVERY AND RELEASE OF AGENTS IN NATIVE FORM NEORX CORPORATION (US) 1992-08-19 — — EP disclosed
US-5017693-A Methods for introducing a sulfhydryl amino or hydroxyl groups to a compound NEORX CORPORATION (US) 1991-05-21 — — US disclosed
EP-0318948-A2 Cleavable immunoconjugates for the delivery and release of agents in native form NEORX CORPORATION (US) 1989-06-07 — — EP disclosed
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