SCHEMBL7893642

SCHEMBL7893642

O=c1ccc2c(Br)c3ccoc3c(OCCCBr)c2o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA2 P16389 2/20 0.58
▸ CYP1A1 P04798 3/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP1B1 Q16678 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ ABCB1 P08183 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ MAOA P21397 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ BACE1 P56817 2/20 0.46
▸ KCNA3 P22001 10/20 0.44
▸ KCNA5 P22460 7/20 0.44
▸ KCNA4 P22459 2/20 0.42
▸ KCNA1 Q09470 2/20 0.42
▸ KCNN4 O15554 1/20 0.42
▸ THRB P10828 1/20 0.42

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
SCHEMBL20278630 0.88 KCNA2 (0.56) KCNA2CYP1A1KDM4ECYP1A2CYP1B1
SCHEMBL4188097 0.86 KCNA2 (0.57) KCNA2CYP1A1KDM4ECYP1A2CYP1B1
SCHEMBL31117604 0.83 KCNA2 (0.57) KCNA2CYP1A1KDM4ECYP1A2CYP1B1
SCHEMBL4187228 0.79 CYP3A4 (0.80) KCNA2CYP1A1KDM4ECYP1A2CYP1B1
Hydrochloric Acid SCHEMBL9222829 0.78 KCNA2 (0.54) KCNA2CYP1A1KDM4ECYP1A2CYP1B1
SCHEMBL3446041 0.77 MAOA (0.78) KCNA2KDM4ECYP1A2CYP1B1CYP3A4
SCHEMBL3519659 0.77 KCNA2 (0.47) KCNA2CYP1A1KDM4ECYP1A2CYP1B1
Bromide SCHEMBL4319744 0.76 KCNA2 (0.46) KCNA2CYP1A1KDM4ECYP1A2CYP1B1
SCHEMBL7754086 0.75 KCNA3 (0.71) KCNA2KDM4ECYP1A2CYP3A4ALDH1A1
SCHEMBL29503682 0.75 KCNA3 (0.71) KCNA2KDM4ECYP1A2CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998022468-A1 PSORALEN SENSITIZERS FOR VIRAL INACTIVATION OHIO STATE RESEARCH FOUNDATION (US) 1998-05-28 — — WO claimed
US-6187572-B1 DECONTAMINATING BLOOD AND CELL CULTURES BY MIXING WITH A CHEMICAL RADIATION SENSITIZER WHICH DOES NOT BIND TO THE MEMBRANE, FREEZING OR FREEZE-DRYING THE MIXTURE, THEN EXPOSING TO ELECTROMAGNETIC RADIATION BAXTER INTERNATIONAL INC. 2001-02-13 — — US disclosed
US-5919935-A Psoralen sensitizers for viral inactivation THE OHIO STATE RESEARCH FOUNDATION (US) 1999-07-06 — — US disclosed
WO-1998022468-A1 PSORALEN SENSITIZERS FOR VIRAL INACTIVATION OHIO STATE RESEARCH FOUNDATION (US) 1998-05-28 — — WO disclosed
US-5587490-A BINDING TO A PSORALEN COMPOUND CREDIT MANAGERS ASSOCIATION OF CALIFORNIA (US) 1996-12-24 — — US disclosed
US-5418130-A Phosphonium or ammonium halo-psoralen CRYOPHARM CORPORATION (US) 1995-05-23 — — US disclosed
WO-1995002324-A1 METHOD OF INACTIVATION OF VIRAL AND BACTERIAL BLOOD CONTAMINANTS CRYOPHARM CORPORATION (US) 1995-01-26 — — WO disclosed
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