SCHEMBL6267261

SCHEMBL6267261

O=C(O)c1ccc2nc(S)sc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.62
KDM4E B2RXH2 4/20 0.62
NFKB1 P19838 3/20 0.62
NFKB2 Q00653 3/20 0.62
RELA Q04206 3/20 0.62
LMNA P02545 2/20 0.62
NPC1 O15118 8/20 0.57
RAB9A P51151 8/20 0.57
TDP1 Q9NUW8 3/20 0.57
ALDH1A1 P00352 3/20 0.57
HPGD P15428 3/20 0.57
MITF O75030 2/20 0.57
GAA P10253 2/20 0.57
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.57
RECQL P46063 1/20 0.57
GFER P55789 1/20 0.57
PAX8 Q06710 1/20 0.57
KLF5 Q13887 1/20 0.57
HKDC1 Q2TB90 1/20 0.51

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
SCHEMBL2031602 0.86 NPC1 (0.68) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL6275004 0.85 DYRK1A (0.58) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL18984451 0.81 SMN1; SMN2 (0.64) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL381600 0.81 SMN1; SMN2 (0.64) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL1261509 0.81 NPC1 (0.75) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL211024 0.79 RAB9A (0.66) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL19899933 0.79 SMN1; SMN2 (0.62) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL9797268 0.79 KDM4E (0.88) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL22924402 0.79 SMN1; SMN2 (0.62) SMN1; SMN2KDM4ENFKB1NFKB2RELA
SCHEMBL1036069 0.79 KDM4E (0.62) SMN1; SMN2KDM4ENFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005100378-A1 PROCESS FOR THE PREPARATION OF A PEPTIDE, AND COMPOUNDS COMPRISING A THIOESTER CARBOXYL-ACTIVATING GROUP FOR USE THEREIN AVECIA LIMITED (GB) 2005-10-27 WO disclosed
US-4886738-A COLOR REVERSAL MATERIAL WITH IMPROVED PUSH DEVELOPABILITY FUJI PHOTO FILM CO., LTD. (JP) 1989-12-12 US disclosed
US-4322214-A USING A SULFUR OR SULFURIZED VAT DYE IN AN ALKALINE BATH CONTAINING A MERCAPTO COMPOUND AND A SULFITE SALT; LEVELING ASAHI CHEMICAL COMPANY LIMITED (JP) 1982-03-30 US disclosed