SCHEMBL9697271

SCHEMBL9697271

Cc1cc(Cc2ccccc2)c(C)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.45
BCL2L1 Q07817 1/20 0.45
CALM1 P0DP23 1/20 0.42
ALOX5 P09917 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.39
CYP3A4 P08684 2/20 0.39
HIF1A Q16665 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL14760449 0.78 KMT2A (0.48) BCL2BCL2L1PDE3BPDE3AMAPT
SCHEMBL9277706 0.75 KMT2A (0.46) BCL2BCL2L1PDE3BPDE3AMAPT
SCHEMBL7296501 0.74 TSHR (0.61) PDE3BPDE3ASMN1; SMN2MAPTCYP3A4
SCHEMBL9454876 0.74 PTGS2 (0.44) MAPTALDH1A1CYP1A2KMT2AMEN1
SCHEMBL18708623 0.74 EED (0.47) PDE3BPDE3ASMN1; SMN2ALDH1A1TSHR
SCHEMBL10771506 0.74 PDE3B (0.46) BCL2BCL2L1PDE3BPDE3ASMN1; SMN2
SCHEMBL2585402 0.73 MEN1 (0.47) PDE3BPDE3AALDH1A1KMT2AMEN1
SCHEMBL2591527 0.72 KDM4E (0.58) PDE3BPDE3AMAPTCYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL2591808 0.72 MEN1 (0.46) PDE3BPDE3AALDH1A1KMT2AMEN1
SCHEMBL8092285 0.72 BCL2 (0.54) BCL2BCL2L1CALM1ALOX5CYP3A4

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
EP-0500824-A1 POLYMERS FOR SCAVENGING NITROSATING AGENTS CURATORS OF THE UNIVERSITY OF MISSOURI (US) 1992-09-02 EP disclosed
WO-1992000122-A1 POLYMERS FOR SCAVENGING NITROSATING AGENTS CURATORS OF THE UNIVERSITY OF MISSOURI (US) 1992-01-09 WO disclosed