SCHEMBL30856473

SCHEMBL30856473

O=C(Nc1c(-c2ccccc2)cnn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
ABCG2 Q9UNQ0 2/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
POLB P06746 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MITF O75030 1/20 0.50
HPGD P15428 2/20 0.49
MAPT P10636 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
GFER P55789 1/20 0.49
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL1821818 0.76 GRM5 (0.76)
SCHEMBL28392286 0.75 RAB9A (0.58) TSHRNPC1RAB9APOLBMEN1
SCHEMBL7378301 0.75 ALDH1A1 (0.74) ABCG2NPC1RAB9APOLBMEN1
SCHEMBL11655761 0.74 RAB9A (0.49) TSHRNPC1RAB9AKMT2AMAPT
SCHEMBL20110268 0.72 MAPK1 (0.77) ABCG2NPC1RAB9APOLBMEN1
SCHEMBL3160310 0.71 MEN1 (0.87) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL16899268 0.71 KMT2A (0.72) ABCG2NPC1RAB9APOLBMEN1
SCHEMBL2243609 0.71 ABCG2 (0.57) ABCG2NPC1RAB9APOLBMEN1
SCHEMBL8337442 0.69 NPC1 (0.80) ABCG2NPC1RAB9APOLBMEN1
SCHEMBL5365677 0.68 ALDH1A1 (0.66) TSHRRAB9APOLBKMT2AHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240169137-A1 INTEGRATED CIRCUIT INCLUDING STANDARD CELLS AND METHOD OF DESIGNING THE SAME SamsungElectronicsCo.,Ltd. (KR) 2024-05-23 US disclosed
EP-4372798-A2 INTEGRATED CIRCUIT INCLUDING STANDARD CELLS AND METHOD OF DESIGNING THE SAME Samsung Electronics Co., Ltd. (KR) 2024-05-22 EP disclosed
CN-118057611-A Integrated circuit comprising standard cells and method for manufacturing such an integrated circuit 三星电子株式会社 2024-05-21 CN disclosed