SCHEMBL17995255

SCHEMBL17995255

Cn1c(C23CC4CC(CC(C4)C2)C3)nc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HPGD P15428 1/20 0.49
ATM Q13315 1/20 0.45
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
CNR2 P34972 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL30792923 1.00 HSD11B1 (0.52) HSD11B1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL28506365 0.81 SMN1; SMN2 (0.50) HSD11B1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL12104385 0.77 SMN1; SMN2 (0.49) HSD11B1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL14825443 0.77 KDM4E (0.51) HSD11B1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL6492889 0.75 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2AHPGDATM
SCHEMBL814728 0.74 KDM4E (0.55) SMN1; SMN2MEN1KMT2ANPSR1HPGD
SCHEMBL15013401 0.73 KMT2A (0.67) SMN1; SMN2MEN1KMT2ANPSR1HPGD
Amantadine SCHEMBL15013442 0.72 KDM4E (0.48) SMN1; SMN2MEN1KMT2ANPSR1HPGD
SCHEMBL28624297 0.71 KMT2A (0.45) HSD11B1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL31321045 0.70 CYP11B1 (0.41) SMN1; SMN2MEN1KMT2ANPSR1HPGD

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
US-20170097567-A1 METHOD FOR PRODUCING POLYMER SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-04-06 US disclosed
US-20160229940-A1 POLYMER, RESIST COMPOSITION, AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-08-11 US disclosed