SCHEMBL10684352

SCHEMBL10684352

CCCCCNc1cnccn1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HPGD P15428 4/20 0.49
HCAR3 P49019 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
DNM2 P50570 4/20 0.45
TLR8 Q9NR97 1/20 0.45
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LATS1 O95835 1/20 0.41
LATS2 Q9NRM7 1/20 0.41
PCSK9 Q8NBP7 1/20 0.41
KDM6B O15054 1/20 0.41
KDM4C Q9H3R0 1/20 0.41

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
SCHEMBL3797836 0.98 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2HPGDHCAR3
SCHEMBL31452231 0.94 ALDH1A1 (0.53) KDM4EALDH1A1SMN1; SMN2HPGDHCAR3
SCHEMBL15923092 0.89 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2HPGDHCAR3
SCHEMBL10670706 0.88 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2HPGDHCAR3
SCHEMBL4717189 0.81 ALDH1A1 (0.47) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL2343301 0.79
SCHEMBL11315292 0.78 HRH3 (0.51) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL22242100 0.78 ALDH1A1 (0.53) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL21527350 0.78 ALDH1A1 (0.57) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL18274878 0.77 SMN1; SMN2 (0.59) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A

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
JP-55028908-A None JP disclosed
US-4718934-A PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1988-01-12 US disclosed
EP-0096125-B1 AMINO AND AMIDO DERIVATIVES OF CHLORO NITRO AMINO AND ALKYLAMINO PYRAZINES USEFUL AS ADJUNCTS TO RADIATION THERAPY MERCK & CO. INC. (US) 1987-01-07 EP disclosed
EP-0175652-A2 5-Acylaminopyrimidines CIBA-GEIGY AG (CH) 1986-03-26 EP disclosed
EP-0096125-A1 Amino and amido derivatives of chloro nitro amino and alkylamino pyrazines useful as adjuncts to radiation therapy MERCK & CO. INC. (US) 1983-12-21 EP disclosed
US-4414215-A N-Acyl derivatives of 6-alkylamino 5-chloro-3-nitropyrazinamines for radiation therapy MERCK & CO., INC. (US) 1983-11-08 US disclosed
JP-S5528908-A 2,3-DICYANO-5-AMINOPYRAZINE DERIVATIVE AND ITS PREPARATION KYOWA GAS CHEM IND CO LTD 1980-02-29 JP disclosed