SCHEMBL30510146

SCHEMBL30510146

N#Cc1ccc(-c2ccc(F)cc2)cc1N=[N+]=[N-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 7/20 0.47
▸ CYP11B1 P15538 6/20 0.47
▸ MAOB P27338 3/20 0.36
▸ MAOA P21397 2/20 0.36
▸ AR P10275 4/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ FASN P49327 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33

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
SCHEMBL25257701 1.00 CYP11B2 (0.47) CYP11B2CYP11B1MAOBMAOAAR
SCHEMBL17827370 0.74 CYP11B2 (0.59) CYP11B2CYP11B1MAOBMAOAAR
SCHEMBL14691380 0.73 VCAM1 (0.41) MAOBMAOAARALDH1A1KDM4E
SCHEMBL14382142 0.73 AR (0.36) CYP11B2CYP11B1ARALDH1A1HPGD
SCHEMBL12496622 0.72 CYP11B2 (0.77) CYP11B2CYP11B1
SCHEMBL13440168 0.72 KIF11 (0.47) CYP11B2CYP11B1AR
SCHEMBL31663089 0.70 LMNA (0.35) MAOBMAOAALDH1A1MEN1KMT2A
SCHEMBL12733363 0.69 CYP11B2 (0.54) CYP11B2CYP11B1MAOBMAOAAR
SCHEMBL12496594 0.69 CYP11B1 (0.54) CYP11B2CYP11B1ARCYP1A2ALDH1A1
SCHEMBL25299104 0.69 CYP11B2 (0.63) CYP11B2CYP11B1ARCYP1A2ALDH1A1

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
EP-4452253-A2 2-PYRAZOLE ANILINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD The Katholieke Universiteit Leuven (BE) 2024-10-30 — — EP disclosed
WO-2023122780-A9 2-PYRAZOLE ANILINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD THE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 — — WO disclosed
WO-2023122780-A2 2-PYRAZOLE ANILINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD THE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-06-29 — — WO disclosed
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