SCHEMBL29451622

SCHEMBL29451622

Cc1ccc([N+](=O)[O-])cc1SC1CCCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 3/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
HPGD P15428 1/20 0.47
CYP3A4 P08684 3/20 0.45
HSP90AA1 P07900 1/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
POLB P06746 1/20 0.44
TXN P10599 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MGLL Q99685 1/20 0.41
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6814748 0.79 PDE7A (0.51) ALDH1A1LMNASMN1; SMN2HPGDHSP90AA1
SCHEMBL9504735 0.78 CYP19A1 (0.61) ALDH1A1LMNAMAPTCRHBPCRHR2
SCHEMBL6926453 0.77 ERN1 (0.48) ALDH1A1LMNAMAPTCRHBPCRHR2
SCHEMBL9502669 0.76 CYP19A1 (0.60) ALDH1A1LMNAMAPTCRHBPCRHR2
SCHEMBL9502657 0.76 CYP19A1 (0.47) ALDH1A1LMNAMAPTCRHBPCRHR2
SCHEMBL14147098 0.76 ALDH1A1 (0.64) ALDH1A1LMNAMAPTSMN1; SMN2TSHR
SCHEMBL5553609 0.75 ERN1 (0.49) ALDH1A1LMNAMAPTCRHBPCRHR2
SCHEMBL10513227 0.74 MAOA (0.50) ALDH1A1LMNAMAPTHSP90AA1POLB
SCHEMBL26012277 0.74 MAOA (0.50) ALDH1A1LMNAMAPTHSP90AA1POLB
SCHEMBL29106577 0.74 ALDH1A1 (0.46) ALDH1A1LMNAMAPTCRHBPCRHR2

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