SCHEMBL29923474

SCHEMBL29923474

O=c1c2ccccc2ccn1-c1cncc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.42
CYP11B2 P19099 8/20 0.42
IDO1 P14902 1/20 0.39
MIF P14174 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38
RELA Q04206 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL798090 1.00 CYP11B1 (0.42) CYP11B1CYP11B2IDO1MIFNPC1
SCHEMBL31082541 0.85 MAPK1 (0.42) IDO1NPC1LMNAALDH1A1POLB
SCHEMBL4309645 0.80 CYP11B1 (0.46) CYP11B1CYP11B2IDO1MIF
SCHEMBL20437053 0.78 DDB1 (0.47) CYP11B1CYP11B2
SCHEMBL14911768 0.75 IDO1 (0.40) IDO1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL14911616 0.74 ALOX12 (0.50) CYP11B2IDO1RAB9A
SCHEMBL22552462 0.73 ALDH1A1 (0.46) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL29480933 0.73 ALDH1A1 (0.46) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL28916765 0.73 G6PD (0.45) LMNAMEN1KMT2AALDH1A1POLB
SCHEMBL28590872 0.73 JAK2 (0.48) IDO1SMN1; SMN2LMNAMEN1KMT2A

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
EP-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 EP disclosed