SCHEMBL7958648

SCHEMBL7958648

CCOCCCN1CCc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.62
▸ MEN1 O00255 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ USP2 O75604 1/20 0.62
▸ CDK4 P11802 1/20 0.62
▸ ALOX15 P16050 1/20 0.62
▸ CCND1 P24385 1/20 0.62
▸ KDM4E B2RXH2 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ PTK2B Q14289 1/20 0.55
▸ ESR2 Q92731 1/20 0.55
▸ POLB P06746 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ TRPM5 Q9NZQ8 1/20 0.43
▸ SLC6A4 P31645 3/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43

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
SCHEMBL25753202 0.88 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL31186642 0.82 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL4532583 0.82 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL3642723 0.82 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL29531557 0.81 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL6698921 0.81 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL25229724 0.80 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL8703125 0.80 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL15921493 0.80 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL8435686 0.80 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AUSP2CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6297270-B1 HERBICIDE; DYES INTERMEDIATE, AMINO ACIDS, PHOTOSENSITIVE AND/OR THERMOSENSITIVE MATERIAL; COSMETICS; ANTIOXIDANT; ANGIOTENSIN(II) ANTAGONIST; CALCIUM CHANNEL BLOCKER, ENZYME INHIBITOR; POLYMERIZATION CATALYST AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2001-10-02 — — US claimed
EP-1004579-A1 Process for the preparation of 2,3-Dihydroindoles (Indolines), certain 2,3-Dihydroindoles and their use Aventis Research & Technologies GmbH & Co KG (DE) 2000-05-31 — — EP claimed
US-6297270-B1 HERBICIDE; DYES INTERMEDIATE, AMINO ACIDS, PHOTOSENSITIVE AND/OR THERMOSENSITIVE MATERIAL; COSMETICS; ANTIOXIDANT; ANGIOTENSIN(II) ANTAGONIST; CALCIUM CHANNEL BLOCKER, ENZYME INHIBITOR; POLYMERIZATION CATALYST AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2001-10-02 — — US disclosed
EP-1004579-A1 Process for the preparation of 2,3-Dihydroindoles (Indolines), certain 2,3-Dihydroindoles and their use Aventis Research & Technologies GmbH & Co KG (DE) 2000-05-31 — — EP disclosed
EP-1004579-A1 Process for the preparation of 2,3-Dihydroindoles (Indolines), certain 2,3-Dihydroindoles and their use Aventis Research & Technologies GmbH & Co KG (DE) 2000-05-31 — — EP disclosed
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