SCHEMBL29451985

SCHEMBL29451985

Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCCCC1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.69
KMT2A Q03164 3/20 0.69
MEN1 O00255 2/20 0.69
HPGD P15428 2/20 0.69
POLB P06746 2/20 0.66
MAPT P10636 2/20 0.66
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 5/20 0.53
PAX8 Q06710 2/20 0.53
RECQL P46063 1/20 0.53
RAB9A P51151 1/20 0.53
SLC6A9 P48067 1/20 0.52
SLC6A5 Q9Y345 1/20 0.52
RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL10126597 1.00 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1HPGDPOLB
SCHEMBL10126582 0.89 MAPT (0.70) ALDH1A1KMT2AMEN1HPGDPOLB
SCHEMBL17979825 0.87 L3MBTL1 (0.59) ALDH1A1KMT2AMEN1HPGDPOLB
SCHEMBL17979844 0.86 SMN1; SMN2 (0.70) ALDH1A1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL22767393 0.83 SMN1; SMN2 (0.72) ALDH1A1KMT2AMEN1HPGDPOLB
SCHEMBL3911491 0.82 POLB (0.68) ALDH1A1KMT2AMEN1HPGDPOLB
SCHEMBL22767345 0.81 LMNA (0.74) ALDH1A1KMT2AMEN1HPGDPOLB
SCHEMBL3911494 0.80 MAPT (0.70) ALDH1A1KMT2AMEN1HPGDPOLB
SCHEMBL4029063 0.80 MAPT (0.70) ALDH1A1KMT2AMEN1HPGDPOLB
SCHEMBL3181603 0.80 POLB (0.65) ALDH1A1KMT2AMEN1HPGDPOLB

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
WO-2022032144-A1 SUBSTRATE ADAPTOR INHIBITORS OF PRMT5 AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2022-02-10 WO disclosed