SCHEMBL11845306

SCHEMBL11845306

Cc1ccc2c(c1)c(-c1ccccc1)nn2CCCN

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MERTK Q12866 3/20 0.46
▸ MAPT P10636 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ LMNA P02545 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL11843862 0.85 KDM4E (0.47) KDM4EHSD17B10TSHRMERTKMAPT
SCHEMBL11838059 0.85 KDM4E (0.47) KDM4EHSD17B10TSHRMAPTALDH1A1
SCHEMBL11832928 0.84 MAPT (0.57) KDM4EHSD17B10TSHRMERTKMAPT
SCHEMBL5412777 0.84 KMT2A (0.48) KDM4EHSD17B10TSHRMAPTALDH1A1
Hydrochloric Acid SCHEMBL11834842 0.84 KDM4E (0.46) KDM4EHSD17B10TSHRMERTKMAPT
SCHEMBL11841385 0.83 HSD17B10 (0.68) KDM4EHSD17B10TSHRMERTKALDH1A1
Hydrochloric Acid SCHEMBL11837552 0.83 MAPT (0.56) KDM4EHSD17B10TSHRMERTKMAPT
SCHEMBL11835521 0.83 HSD17B10 (0.45) KDM4EHSD17B10TSHRMAPTALDH1A1
Hydrochloric Acid SCHEMBL11835498 0.82 HSD17B10 (0.44) KDM4EHSD17B10TSHRMAPTALDH1A1
SCHEMBL11830995 0.82 KDM4E (0.44) KDM4EHSD17B10TSHRKMT2A

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-3994890-A TRANQUILIZERS, ANTIDEPRESSANTS, ANTIINFLAMMATORY CHUGAI SEIYAKU KABUSHIKI KAISHA (JA) 1976-11-30 — — US claimed
US-3994890-A TRANQUILIZERS, ANTIDEPRESSANTS, ANTIINFLAMMATORY CHUGAI SEIYAKU KABUSHIKI KAISHA (JA) 1976-11-30 — — US disclosed
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