SCHEMBL21358014

SCHEMBL21358014

O=c1cccccn1.O=c1cccccn1.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
P4HTM Q9NXG6 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NAPRT Q6XQN6 1/20 0.46
KDM4E B2RXH2 4/20 0.46
CCR1 P32246 2/20 0.46
CCR5 P51681 2/20 0.46
CCR8 P51685 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
METAP1 P53582 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
DOHH Q9BU89 1/20 0.46
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42

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
SCHEMBL3848 0.97
Ammonia Solution, Strong SCHEMBL7957885 0.94
Hydrochloric Acid SCHEMBL4436012 0.94 LMNA (0.46) LMNAP4HTML3MBTL1NAPRTKDM4E
Hydrochloric Acid SCHEMBL28730333 0.94
SCHEMBL27299223 0.94
Fumaric Acid SCHEMBL8671631 0.82 KDM4E (0.51) LMNAP4HTML3MBTL1NAPRTKDM4E
Quinoline SCHEMBL28212892 0.80 ALDH1A1 (0.68) LMNAL3MBTL1KDM4ECYP1A2POLB
Benzene SCHEMBL27526163 0.74 LMNA (0.48) LMNAP4HTML3MBTL1NAPRTKDM4E
SCHEMBL8369 0.71
SCHEMBL30500259 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019177117-A1 DRUG FOR TREATING COUGH 日本ケミファ株式会社 2019-09-19 WO claimed
WO-2021049628-A1 P2X4 RECEPTOR ANTAGONIST 日本ケミファ株式会社 2021-03-18 WO disclosed
WO-2019177117-A1 DRUG FOR TREATING COUGH 日本ケミファ株式会社 2019-09-19 WO disclosed