Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL27468607

COc1ccc(Cc2nnc(Cl)c3ccc([N+](=O)[O-])cc23)cc1Cl.N

nearest known ligand 0.70

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 10/20 0.70
MAPT P10636 3/20 0.45
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.43
CYP19A1 P11511 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
Ammonia Solution, Strong SCHEMBL27449843 0.97 PDE5A (0.66) PDE5AMAPTHPGDSMN1; SMN2NPC1
SCHEMBL6597241 0.82 PDE5A (1.00) PDE5A
SCHEMBL7918154 0.80 PDE5A (0.92) PDE5A
SCHEMBL27468605 0.80 PDE5A (0.51) PDE5ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL27449842 0.80 PDE5A (0.48) PDE5ASMN1; SMN2CYP1A2CYP2C19LMNA
Ammonia Solution, Strong SCHEMBL27466741 0.76 PDE5A (0.60) PDE5AMAPTSMN1; SMN2LMNATDP1
SCHEMBL29435299 0.74 MAPT (0.67) PDE5AMAPTHPGDSMN1; SMN2NPC1
SCHEMBL512092 0.74 MAPT (0.67) PDE5AMAPTHPGDSMN1; SMN2NPC1
SCHEMBL6595421 0.73 PDE5A (0.47) PDE5AHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL27543491 0.73 PDE5A (0.45) PDE5AMAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1151136-C Condensed pyridazine compound ������������ʽ���� 2004-05-26 CN disclosed
CN-1135210-A Fused pyridazine compound EISAI CO LTD (JP) 1996-11-06 CN disclosed