SCHEMBL8188129

SCHEMBL8188129

Cc1nc2ccnn2c2c1CCN2C1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
HTR2C P28335 6/20 0.44
HTR2A P28223 5/20 0.39
HTR2B P41595 5/20 0.39
ACVR1 Q04771 2/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
RAD52 P43351 1/20 0.35
HTT P42858 1/20 0.34
BMPR1A P36894 1/20 0.34
ACVRL1 P37023 1/20 0.34
CHEK1 O14757 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33

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
SCHEMBL8177254 0.99 KMT2A (0.49) KMT2AHTR2CHTR2AHTR2BACVR1
SCHEMBL8177215 0.84 HTR2C (0.41) KMT2AHTR2CHTR2AHTR2BACVR1
SCHEMBL8186128 0.83 HTR2C (0.41) KMT2AHTR2CHTR2AHTR2BACVR1
SCHEMBL8176828 0.82 HTR2C (0.41) KMT2AHTR2CHTR2AHTR2BACVR1
SCHEMBL8185910 0.81 KMT2A (0.41) KMT2AHTR2CHTR2AHTR2BACVR1
SCHEMBL8177219 0.80 HTR2C (0.39) KMT2AHTR2CHTR2AHTR2BACVR1
SCHEMBL8191899 0.80 KMT2A (0.41) KMT2AHTR2CHTR2AHTR2BACVR1
SCHEMBL8177229 0.79 KMT2A (0.40) KMT2AHTR2CHTR2AHTR2BACVR1
SCHEMBL8187118 0.79 PDE4A (0.47) KMT2AHTR2CKDM4EALDH1A1
SCHEMBL8175991 0.78 HTR2C (0.40) KMT2AHTR2CHTR2AHTR2BKDM4E

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-6057330-A USEFUL FOR THE PREVENTION AND TREATMENT OF A RESPIRATORY DISEASES REPRESENTED BY ASTHMA POLA CHEMICAL INDUSTRIES, INC. (JP) 2000-05-02 US disclosed