SCHEMBL7361207

SCHEMBL7361207

CC(CCCc1ccccc1)n1nnc(C(N)=O)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
CYP1A2 P05177 1/20 0.40
DAGLA Q9Y4D2 2/20 0.39
GRIK1 P39086 1/20 0.39
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
FAAH O00519 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL7355527 0.87 MEN1 (0.43) KMT2AMEN1HPGDSMN1; SMN2TSHR
SCHEMBL7511580 0.84 LMNA (0.42) KMT2AMEN1SMN1; SMN2PDE4APDE4B
SCHEMBL7843449 0.82 PDE4A (0.40) KMT2AMEN1SMN1; SMN2PDE4APDE4B
SCHEMBL7850685 0.81 NOS3 (0.40) DAGLAPOLBCYP2D6
SCHEMBL7352951 0.78 SMN1; SMN2 (0.34) SMN1; SMN2LMNACYP2C19
SCHEMBL7893458 0.78 RIPK2 (0.46) KMT2AMEN1SMN1; SMN2TSHRPDE4A
SCHEMBL7893498 0.75 PDE2A (0.42) KMT2AMEN1SMN1; SMN2PDE4APDE4B
SCHEMBL6996007 0.75 PDE4A (0.41) KMT2AMEN1PDE4APDE4BPDE4C
SCHEMBL7510987 0.74 LMNA (0.39) KMT2AMEN1SMN1; SMN2PDE4APDE4B
SCHEMBL6997649 0.73 LMNA (0.38) KMT2AMEN1SMN1; SMN2PDE4APDE4B

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-6458796-B1 METHOD OF TREATING CARDIOVASCULAR DISORDERS, THROMBOEMBOLIC DISORDERS AND ISCHAEMIAS, AND UROGENITAL SYSTEM DISORDERS, COMPRISING ADMINISTERING TO MAMMALS BAYER AKTIENGESELLSCHAFT (DE) 2002-10-01 US disclosed