SCHEMBL25858314

SCHEMBL25858314

CC1(C)c2ccc(Nc3ccccc3-c3cccc4ccccc34)cc2-c2c(-c3ccccc3)cccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ CDC25B P30305 4/20 0.38
▸ HPGD P15428 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ FADS1 O60427 1/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ CHRNB2 P17787 2/20 0.35
▸ CHRNB4 P30926 2/20 0.35
▸ CHRNA3 P32297 2/20 0.35
▸ CHRNA4 P43681 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SIGMAR1 Q99720 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
SCHEMBL24890009 0.88 FADS1 (0.40) ALDH1A1MAPTCDC25BHPGDTP53
SCHEMBL25124788 0.88 CDC25B (0.38) ALDH1A1MAPTCDC25BHPGDTP53
SCHEMBL25867324 0.87 CDC25B (0.37) ALDH1A1MAPTCDC25BHPGDTP53
SCHEMBL25858315 0.86 ALDH1A1 (0.37) ALDH1A1MAPTCDC25BHPGDTP53
SCHEMBL25125253 0.84 FADS1 (0.37) ALDH1A1MAPTCDC25BHPGDTP53
SCHEMBL19089973 0.83 FADS1 (0.40) ALDH1A1MAPTCDC25BHPGDTP53
SCHEMBL4625105 0.83 ALDH1A1 (0.47) ALDH1A1MAPTCDC25BHPGDTP53
SCHEMBL24969651 0.83 AKR1C3 (0.35) ALDH1A1MAPTHPGDRAB9A
SCHEMBL25124657 0.82 CDC25B (0.35) ALDH1A1MAPTCDC25BHPGDTP53
SCHEMBL25124835 0.82 IDO1 (0.36) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11711973-B2 Organic electronic device DUK SAN NEOLUX CO., LTD. (KR) 2023-07-25 — — US disclosed
US-11711973-B2 Organic electronic device DUK SAN NEOLUX CO., LTD. (KR) 2023-07-25 — — US disclosed
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