SCHEMBL27639664

SCHEMBL27639664

Nc1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1N

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KCNN4 O15554 2/20 0.33
KCNA3 P22001 1/20 0.33
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RIPK2 O43353 1/20 0.31

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
SCHEMBL5956817 0.72 NCF1 (0.39) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL6923638 0.71 POLB (0.47) CYP11B1CYP11B2RAB9AHPGDSMN1; SMN2
SCHEMBL29447706 0.70 CYP11B1 (0.35) CYP11B1CYP11B2NPC1RAB9AHPGD
SCHEMBL28067981 0.70 MAPT (0.32)
SCHEMBL20401326 0.69 ACSS2 (0.39) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL18113496 0.69 RECQL (0.44) CYP11B1CYP11B2RAB9AHPGDSMN1; SMN2
SCHEMBL30554368 0.69 RECQL (0.44) CYP11B1CYP11B2RAB9AHPGDSMN1; SMN2
SCHEMBL14895594 0.68 PDPK1 (0.43)
SCHEMBL12042936 0.68 CYP11B1 (0.32) CYP11B1CYP11B2
SCHEMBL21996476 0.67 ALDH1A1 (0.34) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2

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-100343260-C Cephem compounds FUJISAWA PHARMACEUTICAL CO (JP) 2007-10-17 CN disclosed
CN-1708502-A Cephem compounds FUJISAWA PHARMACEUTICAL CO (JP) 2005-12-14 CN disclosed