Sugi Predict

Sugi Predict / Compounds / SCHEMBL24521176

SCHEMBL24521176

SCHEMBL24521176

C1=CC(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)CC(c2cc3c(c4ccccc24)Cc2cc(-c4ccc5ccccc5c4)ccc2-3)=C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ NTSR1 P30989 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL24521210 0.82 CYP1A1 (0.38) CYP1A1CYP1B1MEN1KMT2ANTSR1
SCHEMBL24521180 0.78 — —
SCHEMBL24384482 0.71 SMN1; SMN2 (0.39) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL24521290 0.71 MEN1 (0.41) MEN1KMT2ANTSR1ALDH1A1MAPT
SCHEMBL24521077 0.70 CYP1A1 (0.39) CYP1A1CYP1B1MEN1KMT2ANTSR1
SCHEMBL24521172 0.69 ADORA1 (0.34) MEN1KMT2AALDH1A1MAPT
SCHEMBL21699007 0.69 MEN1 (0.33) MEN1KMT2ANTSR1ALDH1A1MAPT
SCHEMBL24521232 0.69 TDP2 (0.40) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL19593253 0.69 CYP11B2 (0.44) ALDH1A1MAPTHPGD
SCHEMBL19530991 0.68 CYP11B2 (0.43) CYP1A1CYP1B1ALDH1A1MAPTHPGD

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
EP-4015515-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT Materials Co., Ltd. (KR) 2022-06-22 — — EP disclosed