SCHEMBL6562252

SCHEMBL6562252

NC(=O)NSCc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
EPHX1 P07099 1/20 0.46
TP53 P04637 2/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.43
RAB9A P51151 1/20 0.41
NR3C2 P08235 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL27953297 0.83 NOS1 (0.42) IDO1KMT2AALDH1A1LMNARAB9A
SCHEMBL133803 0.81 IDO1 (0.48) IDO1KMT2AALDH1A1LMNAGAA
SCHEMBL27660542 0.81 IDO1 (0.56) IDO1NR3C2
Hydrochloric Acid SCHEMBL10690050 0.79 IDO1 (0.50) IDO1KMT2AALDH1A1LMNAGAA
SCHEMBL27639758 0.79 LMNA (0.47) KMT2AALDH1A1LMNAGAA
SCHEMBL27274814 0.78 ALDH1A1 (0.47) KMT2AALDH1A1LMNAGAAKDM4E
SCHEMBL6562489 0.77 IDO1 (0.61) IDO1EPHX1KMT2AALDH1A1LMNA
SCHEMBL28760433 0.76 PLK1 (0.49) ALDH1A1RAB9A
SCHEMBL27516417 0.76 IDO1 (0.54) IDO1EPHX1TP53ALDH1A1NR3C2
SCHEMBL31128197 0.76 NPC1 (0.51) EPHX1KMT2AALDH1A1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101687816-A Triaminopyrimidine derivatives as the CDC25 inhibitors of phosphatases IPSEN PHARMA SAS 2010-03-31 CN claimed
CN-101687816-A Triaminopyrimidine derivatives as the CDC25 inhibitors of phosphatases IPSEN PHARMA SAS 2010-03-31 CN disclosed
CN-100379737-C Thioxanthine derivatives as myeloperoxidase inhibitors ASTRAZENECA AB (SE) 2008-04-09 CN disclosed
CN-1646531-A Thioxanthine derivatives as myeloperoxidase inhibitors ASTRAZENECA AB (SE) 2005-07-27 CN disclosed
EP-1085009-B1 INDAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2004-11-10 EP disclosed
EP-0934296-B1 CHROMAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2003-06-04 EP disclosed
US-6486178-B1 Indane derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-26 US disclosed
EP-1085009-A1 INDAN DERIVATIVES Nissan Chemical Industries, Ltd. (JP) 2001-03-21 EP disclosed
US-6066631-A Chroman derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-23 US disclosed
WO-2000012492-A1 BENZOXAZINE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-09 WO disclosed
EP-0934296-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-08-11 EP disclosed
WO-1998004542-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-05 WO disclosed