SCHEMBL31032248

SCHEMBL31032248

O=C(O)c1cnc2n1CCCCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SLC27A1 Q6PCB7 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
RAB9A P51151 2/20 0.37
AR P10275 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL10185312 0.98 SLC27A1 (0.47) LMNAHPGDHTTMEN1KMT2A
Hydrochloric Acid SCHEMBL21816391 0.97 SLC27A1 (0.49) LMNAHPGDHTTMEN1KMT2A
SCHEMBL10185310 0.93 AR (0.42) LMNAHPGDHTTMEN1KMT2A
Hydrochloric Acid SCHEMBL21818736 0.91 SLC27A1 (0.44) LMNAHPGDHTTMEN1KMT2A
SCHEMBL3548512 0.83 SLC27A1 (0.46) LMNAHPGDHTTMEN1KMT2A
SCHEMBL30014435 0.83 SLC27A1 (0.46) LMNAHPGDHTTMEN1KMT2A
SCHEMBL24927797 0.79 SLC27A1 (0.44) LMNAHPGDHTTMEN1KMT2A
SCHEMBL11189040 0.79 ALDH1A1 (0.46) LMNAHPGDHTTMEN1KMT2A
SCHEMBL20223639 0.79 SLC27A1 (0.44) LMNAHPGDHTTMEN1KMT2A
SCHEMBL7448909 0.76 LMNA (0.46) LMNAHPGDHTTMEN1KMT2A

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
CN-118159537-A 6-Aza-quinoline derivatives and related uses 黑钻治疗公司 2024-06-07 CN disclosed