SCHEMBL3635852

SCHEMBL3635852

N#CNC(=Nc1ccccc1)NCl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.39
ABCC9 O60706 1/20 0.39
KCNJ11 Q14654 1/20 0.39
IMPDH2 P12268 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38
SLC22A3 O75751 1/20 0.38
HTR3B O95264 1/20 0.38
PLAU P00749 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
NOS1 P29475 3/20 0.37
P2RX7 Q99572 2/20 0.37
CRHBP P24387 1/20 0.37

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
SCHEMBL10574588 0.74 GAA (0.41) KMT2AALDH1A1GAAABCC9KCNJ11
SCHEMBL9351758 0.74 ABCC9 (0.46) KMT2AGAAMAPTABCC9KCNJ11
SCHEMBL10574592 0.74 GAA (0.41) KMT2AALDH1A1GAAABCC9KCNJ11
SCHEMBL9351755 0.74 ABCC9 (0.46) KMT2AGAAMAPTABCC9KCNJ11
SCHEMBL4582736 0.73 KMT2A (0.44) KMT2AALDH1A1USP2GAAMAPT
SCHEMBL11238996 0.73 ALDH1A1 (0.68) KMT2AALDH1A1USP2GAAMAPT
SCHEMBL10578990 0.73 SMN1; SMN2 (0.41) KMT2AALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL3287569 0.69 SMN1; SMN2 (0.69) KMT2AALDH1A1USP2GAAMAPT
SCHEMBL3287572 0.69 SMN1; SMN2 (0.69) KMT2AALDH1A1USP2GAAMAPT
SCHEMBL13325330 0.69 SMN1; SMN2 (0.69) KMT2AALDH1A1USP2GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111979114-A Black cattle epidemic prevention inspection kit and preparation method thereof 潍坊友容实业有限公司 2020-11-24 CN claimed
CN-111979114-A Black cattle epidemic prevention inspection kit and preparation method thereof 潍坊友容实业有限公司 2020-11-24 CN disclosed
EP-2150528-A2 PROCESS FOR PREPARATION OF PROGUANIL HYDROCHLORIDE USV Limited (IN) 2010-02-10 EP disclosed
WO-2009113092-A2 PROCESS FOR PREPARATION OF PROGUANIL HYDROCHLORIDE USV LIMITED (IN) 2009-09-17 WO disclosed