SCHEMBL10907684

SCHEMBL10907684

CNC(=O)N(C(=N)N)c1c(C)cc(OC)c(OC)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 5/20 0.35
POLB P06746 3/20 0.35
TSHR P16473 1/20 0.35
APOBEC3A P31941 1/20 0.35
HTT P42858 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
CYP3A4 P08684 2/20 0.33
MAPT P10636 2/20 0.33
CISD2 Q8N5K1 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN2A Q99250 1/20 0.33
LMNA P02545 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL10907705 0.86 KMT2A (0.36) ALDH1A1KDM4EPOLBTSHRAPOBEC3A
SCHEMBL10905803 0.83 CYP3A4 (0.36) ALDH1A1HPGDKDM4EPOLBTSHR
SCHEMBL10905442 0.83 NQO1 (0.31)
SCHEMBL10905662 0.83 GAA (0.33) ALDH1A1HPGDPOLBTSHRCYP3A4
SCHEMBL10906382 0.82 POLB (0.42) ALDH1A1KDM4EPOLBHTTMAPT
Hydrochloric Acid SCHEMBL10906467 0.82 KMT2A (0.32) ALDH1A1HPGDTSHRCYP3A4MEN1
SCHEMBL10906378 0.81 TSHR (0.43) ALDH1A1HPGDKDM4ETSHRHTT
SCHEMBL10903777 0.80 SLC6A2 (0.31)
SCHEMBL10907525 0.80 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EPOLBTSHR
SCHEMBL10907869 0.79 CYP3A4 (0.43) HPGDKDM4EPOLBTSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4564640-A Amidinoureas substituted in both the urea and amidino nitrogen positions WILLIAM H. RORER, INC. (US) 1986-01-14 US disclosed
US-4562209-A Promotion of feed efficiency in animals WILLIAM H. RORER, INC. (US) 1985-12-31 US disclosed