SCHEMBL8084435

SCHEMBL8084435

N=C(N)c1sccc1-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 2/20 0.68
WDR5 P61964 1/20 0.44
KMT2A Q03164 2/20 0.42
F9 P00740 1/20 0.41
PLAU P00749 1/20 0.41
RXFP1 Q9HBX9 2/20 0.41
NQO2 P16083 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
RORB Q92753 2/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
F12 P00748 1/20 0.40
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
PKM P14618 1/20 0.40

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
Oxalic Acid SCHEMBL27447145 0.93 BCAT2 (0.70) BCAT2WDR5KMT2AF9PLAU
SCHEMBL4445671 0.81 BCAT2 (1.00) BCAT2KMT2ARXFP1ALDH1A1TSHR
SCHEMBL7693445 0.81 BCAT2 (0.58) BCAT2KMT2ARXFP1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL31228833 0.79 BCAT2 (0.96) BCAT2KMT2ARXFP1ALDH1A1TSHR
SCHEMBL9121778 0.76 BCAT2 (0.72) BCAT2KMT2ARXFP1ALDH1A1TSHR
SCHEMBL1670982 0.76 BCAT2 (0.72) BCAT2KMT2ARXFP1ALDH1A1TSHR
Bromide SCHEMBL8571214 0.75 SIGMAR1 (0.49) BCAT2
SCHEMBL2980845 0.73 BCAT2 (0.68) BCAT2KMT2ARXFP1ALDH1A1TSHR
SCHEMBL9394563 0.72 BCAT2 (0.66) BCAT2KMT2ARXFP1ALDH1A1TSHR
SCHEMBL8797787 0.72 BCAT2 (0.41) BCAT2ALDH1A1PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6048890-A WHICH DO NOT CAUSE LESIONS OF DIGESTIVE ORGANS KAKEN PHARMACEUTICAL CO., LTD. (JP) 2000-04-11 US disclosed
US-6048890-A WHICH DO NOT CAUSE LESIONS OF DIGESTIVE ORGANS KAKEN PHARMACEUTICAL CO., LTD. (JP) 2000-04-11 US disclosed
EP-0811620-A4 PHENYLAMIDINOTHIOPHENE DERIVATIVES AND ANTIPHLOGISTIC AGENT CONTAINING THE SAME KAKEN PHARMA CO LTD (JP) 1998-05-06 EP disclosed
CN-1176639-A Phenylamidinothiophene derivatives and antiphlogistic agent containing the same KAKEN PHARMA CO LTD (JP) 1998-03-18 CN disclosed
CN-1176639-A Phenylamidinothiophene derivatives and antiphlogistic agent containing the same KAKEN PHARMA CO LTD (JP) 1998-03-18 CN disclosed
EP-0811620-A1 PHENYLAMIDINOTHIOPHENE DERIVATIVES AND ANTIPHLOGISTIC AGENT CONTAINING THE SAME Kaken Pharmaceutical Co., Ltd. (JP) 1997-12-10 EP disclosed
WO-1996026204-A1 PHENYLAMIDINOTHIOPHENE DERIVATIVES AND ANTIPHLOGISTIC AGENT CONTAINING THE SAME KAKEN PHARMACEUTICAL CO., LTD. (JP) 1996-08-29 WO disclosed