SCHEMBL11238745

SCHEMBL11238745

CNC(=O)N(C(=N)N)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PLAU P00749 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL12443096 0.85 L3MBTL1 (0.40) LMNAL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL10890513 0.85 LMNA (0.45) LMNAL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL10857210 0.83 CA1 (0.37) PLAUKMT2AALDH1A1TSHR
SCHEMBL6695686 0.82 NPSR1 (0.36) L3MBTL1PLAUMEN1KMT2ASMN1; SMN2
SCHEMBL28515349 0.82 NPSR1 (0.36) L3MBTL1PLAUMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL10729162 0.82 NPSR1 (0.36) L3MBTL1PLAUMEN1KMT2ANPSR1
SCHEMBL6699646 0.82 NPSR1 (0.36) L3MBTL1PLAUMEN1KMT2ASMN1; SMN2
SCHEMBL6691763 0.82 NPSR1 (0.36) L3MBTL1PLAUMEN1KMT2ASMN1; SMN2
SCHEMBL6694938 0.81 OPRM1 (0.42) L3MBTL1PLAUMEN1KMT2AALDH1A1
SCHEMBL10857082 0.81 ALDH1A1 (0.41) LMNAL3MBTL1SIRT2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4338441-A CYCLIZATION OF AMIDINOUREA OR AMIDINOTHIOUREA WITH ACTIVE METHYLIDENE COMPOUND WILLIAM H. RORER, INC. (US) 1982-07-06 US claimed