SCHEMBL30856403

SCHEMBL30856403

Cc1c([N+](=O)[O-])cc2c(c(F)nn2CC(F)F)c1Br

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.41
▸ MAPT P10636 5/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CCR6 P51684 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL30855874 0.84 KDM4E (0.30) MAPTKDM4ELMNAHTTNPSR1
SCHEMBL30856006 0.83 — —
SCHEMBL30855748 0.74 LMNA (0.32) LMNAHTTALDH1A1
SCHEMBL10076076 0.74 TDP1 (0.36) MAPTHTTALDH1A1KMT2A
SCHEMBL30856300 0.74 MEN1 (0.33) MAPTLMNAHTTALDH1A1KMT2A
SCHEMBL30856168 0.66 CYP1A2 (0.47) CYP1A2MAPTKDM4ELMNACCR6
SCHEMBL31716448 0.66 HTR2A (0.39) MAPTKDM4ELMNAHTTNPSR1
SCHEMBL14908669 0.65 CNR2 (0.44) CYP1A2MAPTLMNANPSR1KMT2A
SCHEMBL18164170 0.65 KMT2A (0.40) CYP1A2LMNAHTTALDH1A1KMT2A
SCHEMBL21960948 0.65 KMT2A (0.38) CYP1A2MAPTLMNAALDH1A1KMT2A

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
CN-120152713-A Tricyclic aryl derivatives and compositions and methods thereof 昂胜医疗科技公司 2025-06-13 — — CN disclosed
EP-4561562-A2 TRICYCLIC ARYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF Ensem Therapeutics, Inc. (US) 2025-06-04 — — EP disclosed
WO-2024026128-A2 TRICYCLIC ARYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2024-02-01 — — WO disclosed
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