SCHEMBL7993526

SCHEMBL7993526

O=c1ccn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
KCNN4 O15554 4/20 0.35
TSHR P16473 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KCNA3 P22001 2/20 0.35
CYP1A2 P05177 2/20 0.35
NR1I2 O75469 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
TBXA2R P21731 2/20 0.35
CCKBR P32239 2/20 0.35
OPRK1 P41145 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KCNH2 Q12809 2/20 0.35
NR1H4 Q96RI1 2/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
CA2 P00918 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL2393355 0.80 CYP11B1 (0.56) CYP11B1CYP11B2KCNN4TSHRSMN1; SMN2
SCHEMBL14590840 0.70 CYP11B1 (0.46) CYP11B1CYP11B2KCNN4TSHRSMN1; SMN2
SCHEMBL30577371 0.67 CYP11B1 (0.57) CYP11B1CYP11B2KCNN4TSHRSMN1; SMN2
SCHEMBL10548625 0.65 KMT2A (0.34) KMT2A
SCHEMBL332630 0.65 CYP11B1 (1.00) CYP11B1CYP11B2KCNN4TSHRSMN1; SMN2
SCHEMBL6368612 0.65 MGLL (0.44) CYP11B1CYP11B2KCNN4TSHRHTT
SCHEMBL316824 0.64
SCHEMBL16001319 0.64 LMNA (0.44) TSHRSMN1; SMN2CA2MAPTKMT2A
SCHEMBL2490844 0.64 PARL (0.41) CYP11B1CYP11B2KCNN4TSHRSMN1; SMN2
SCHEMBL7319404 0.64 KMT2A (0.52) SMN1; SMN2ADORA2AADORA1KMT2AMEN1

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-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed