SCHEMBL7570987

SCHEMBL7570987

Nc1nc2c(c(=O)[nH]1)NCN2CCC(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
UBE2N P61088 1/20 0.49
MTNR1A P48039 4/20 0.48
AANAT Q16613 1/20 0.47
LMNA P02545 2/20 0.46
IDE P14735 1/20 0.45
KDM1A O60341 1/20 0.45
GFER P55789 1/20 0.45
ERAP2 Q6P179 1/20 0.44
CYP1A2 P05177 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
BLM P54132 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
SCHEMBL5332984 0.89 TRPV1 (0.49) ALDH1A1MAPTCYP1A2BLM
SCHEMBL931453 0.85 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTUBE2N
SCHEMBL7980833 0.80 HPRT1 (0.45) ALDH1A1LMNATSHRCYP2C19
SCHEMBL7575108 0.79 HPRT1 (0.53)
SCHEMBL7570897 0.78 CA1 (0.50) ALDH1A1
SCHEMBL7586861 0.77 HINT1 (0.57) MEN1KMT2AALDH1A1MAPTUBE2N
SCHEMBL7574663 0.76 POLB (0.47) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL7568116 0.76 HPRT1 (0.46) CYP2C19
SCHEMBL7567089 0.75 HPRT1 (0.54)
SCHEMBL7572274 0.75 HPRT1 (0.49)

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
EP-1237890-A1 SYNTHESIS AND METHODS OF USE OF 9-SUBSTITUTED GUANINE DERIVATIVES Neotherapeutics, Inc. (US) 2002-09-11 EP claimed
US-6297226-B1 TREATING A DISEASE OR A CONDITION IN A MAMMAL TREATABLE BY INHIBITING THE ACTIVITY OF A MONOAMINE OXIDASE NEOTHERAPEUTICS, INC. 2001-10-02 US claimed
WO-2001029039-A1 SYNTHESIS AND METHODS OF USE OF 9-SUBSTITUTED GUANINE DERIVATIVES NEOTHERAPEUTICS, INC. (US) 2001-04-26 WO claimed
EP-1237890-A1 SYNTHESIS AND METHODS OF USE OF 9-SUBSTITUTED GUANINE DERIVATIVES Neotherapeutics, Inc. (US) 2002-09-11 EP disclosed
US-6297226-B1 TREATING A DISEASE OR A CONDITION IN A MAMMAL TREATABLE BY INHIBITING THE ACTIVITY OF A MONOAMINE OXIDASE NEOTHERAPEUTICS, INC. 2001-10-02 US disclosed
WO-2001029039-A1 SYNTHESIS AND METHODS OF USE OF 9-SUBSTITUTED GUANINE DERIVATIVES NEOTHERAPEUTICS, INC. (US) 2001-04-26 WO disclosed