SCHEMBL8412699

SCHEMBL8412699

C=CCCCCN1C(=C)C(C)(C)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ MAPT P10636 6/20 0.40
▸ LMNA P02545 4/20 0.36
▸ HTT P42858 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ THRB P10828 3/20 0.36
▸ RECQL P46063 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ ALPL P05186 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ALPI P09923 1/20 0.36
▸ ALPG P10696 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ PRMT1 Q99873 1/20 0.35
▸ GAA P10253 4/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL30996203 0.88 CYP1A2 (0.55) KMT2ACYP1A2CYP2D6MAPTLMNA
SCHEMBL10448669 0.84 KMT2A (0.51) KMT2ACYP1A2CYP2D6MAPTHTT
SCHEMBL9868831 0.82 KMT2A (0.50) KMT2ACYP1A2CYP2D6MAPTHTT
SCHEMBL8475420 0.82 KMT2A (0.50) KMT2ACYP1A2CYP2D6MAPTHTT
SCHEMBL14134758 0.82 KMT2A (0.50) KMT2ACYP1A2CYP2D6MAPTHTT
SCHEMBL19746373 0.82 KMT2A (0.50) KMT2ACYP1A2CYP2D6MAPTHTT
SCHEMBL8555578 0.82 KMT2A (0.50) KMT2ACYP1A2CYP2D6MAPTHTT
SCHEMBL8708894 0.82 KMT2A (0.50) KMT2ACYP1A2CYP2D6MAPTHTT
SCHEMBL9736812 0.82 KMT2A (0.50) KMT2ACYP1A2CYP2D6MAPTHTT
SCHEMBL6093583 0.82 KMT2A (0.53) KMT2ACYP1A2CYP2D6MAPTLMNA

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
US-5905148-A Photochromic spirooxazine polysiloxanes YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1999-05-18 — — US disclosed
US-5473068-A Photochromic spirooxazine monomers and polysiloxanes YEDA RESEARCH AND DEVELOPMENT CO. LTD. AT THE WEIZMANN INSTITUTE OF SCIENCE (IL) 1995-12-05 — — US disclosed
US-5322945-A Photochromic spirooxazine monomers and polysiloxanes YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1994-06-21 — — US disclosed
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