SCHEMBL29114941

SCHEMBL29114941

O=C(NCc1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(F)cc2)[nH]n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.50
▸ ACKR3 P25106 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ AKR1B1 P15121 3/20 0.48
▸ PTPN1 P18031 2/20 0.45
▸ MAPT P10636 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ PDE5A O76074 1/20 0.44
▸ ALOX5 P09917 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL29114956 0.93 PTPN1 (0.53) POLBACKR3AKR1B1PTPN1MAPT
SCHEMBL30683706 0.90 LMNA (0.53) ACKR3AKR1B1PTPN1MAPTLMNA
SCHEMBL29114917 0.90 LMNA (0.53) ACKR3AKR1B1PTPN1MAPTLMNA
SCHEMBL29114965 0.84 DYRK1A (0.51) POLBACKR3GAAPTPN1MAPT
SCHEMBL29114944 0.83 ALDH1A1 (0.53) MAPTLMNAKMT2AALDH1A1TP53
SCHEMBL29114964 0.78 MAPT (0.53) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL20181668 0.77 AURKA (0.52) TP53
SCHEMBL29115107 0.77 KMT2A (0.56) POLBGAAMAPTLMNAMEN1
SCHEMBL29114968 0.75 SMN1; SMN2 (0.61) POLBMAPTLMNAMEN1KMT2A
SCHEMBL71738 0.74 EGLN1 (0.51) LMNAHTTTP53RAB9ASMN1; SMN2

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-117143019-A As beta 2 Pyrazole amide derivatives of allosteric antagonists of the adrenergic receptors 常州大学 2023-12-01 — — CN disclosed
Send feedback