SCHEMBL4969293

SCHEMBL4969293

[CaH2].c1ccc(CNCCNCc2ccccc2)cc1

nearest known ligand 0.94

Known targets — ChEMBL curated mechanism

dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.94
KMT2A Q03164 1/20 0.94
TDP1 Q9NUW8 1/20 0.94
MAOA P21397 1/20 0.73
CHRM2 P08172 1/20 0.70
GAA P10253 1/20 0.70
MAPT P10636 1/20 0.70
SIGMAR1 Q99720 3/20 0.64
DRD4 P21917 1/20 0.59
MPO P05164 2/20 0.55
DPP7 Q9UHL4 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
IDO1 P14902 2/20 0.52
THRB P10828 1/20 0.52
ADH1B P00325 1/20 0.52
ADH1C P00326 1/20 0.52
ADH1A P07327 1/20 0.52
ADH7 P40394 1/20 0.52

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
SCHEMBL5764 0.97 MEN1 (1.00) MEN1KMT2ATDP1MAOACHRM2
Arsenic SCHEMBL28302928 0.94 MEN1 (0.94) MEN1KMT2ATDP1MAOACHRM2
Water SCHEMBL4230715 0.94 MEN1 (0.94) MEN1KMT2ATDP1MAOACHRM2
Ammonia Solution, Strong SCHEMBL6678345 0.94 MEN1 (0.94) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL5040570 0.94 MEN1 (0.94) MEN1KMT2ATDP1MAOACHRM2
Ammonia Solution, Strong SCHEMBL28179631 0.94 MEN1 (0.94) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL4922899 0.94 MEN1 (0.94) MEN1KMT2ATDP1MAOACHRM2
Hydrochloric Acid SCHEMBL5845845 0.94 MEN1 (0.94) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL4913828 0.94 MEN1 (0.94) MEN1KMT2ATDP1MAOACHRM2
Hydrochloric Acid SCHEMBL11324591 0.94 MEN1 (0.94) MEN1KMT2ATDP1MAOACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116507628-A Novel benzodiazepine compound, preparation method and application thereof 中国药科大学 2023-07-28 CN claimed
US-4061676-A Recovery of doxycycline and products thereof VILLAX IVAN 1977-12-06 US claimed
EP-1954260-A2 ISOCYSTENE DERIVATIVES FOR THE TREATMENT OF PAIN Pfizer Limited (GB) 2008-08-13 EP disclosed
WO-2007057756-A2 ISOCYSTENE DERIVATIVES FOR THE TREATMENT OF PAIN PFIZER LIMITED (GB) 2007-05-24 WO disclosed
US-5120728-A CEPHALOSPORIN COMPOUNDS PFIZER INC. (US) 1992-06-09 US disclosed
EP-0420543-A2 Cephalosporin compounds PFIZER INC. (US) 1991-04-03 EP disclosed
EP-0128718-A1 Process for 6-(aminomethyl)penicillanic acid 1,1-dioxide and derivatives thereof PFIZER INC. (US) 1984-12-19 EP disclosed