SCHEMBL4597364

SCHEMBL4597364

CSc1nc2ccc(C)cc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
HPGD P15428 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
POLB P06746 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
CYP1A2 P05177 3/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2E1 P05181 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C8 P10632 1/20 0.54
CYP2B6 P20813 1/20 0.54
HTT P42858 4/20 0.53
USP2 O75604 1/20 0.53
PIN1 Q13526 1/20 0.51
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50

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
SCHEMBL17153963 0.87 POLB (0.56) ALDH1A1HPGDSMN1; SMN2POLBKMT2A
SCHEMBL4597359 0.85 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2POLBKMT2A
SCHEMBL29703200 0.81 CYP1A2 (0.66) ALDH1A1HPGDSMN1; SMN2POLBKMT2A
SCHEMBL20683082 0.80 HPGD (0.65) ALDH1A1HPGDSMN1; SMN2KMT2AMAPT
SCHEMBL2593902 0.80 ALDH1A1 (0.65) ALDH1A1HPGDSMN1; SMN2POLBKMT2A
SCHEMBL8667804 0.80 HPGD (1.00) ALDH1A1HPGDSMN1; SMN2KMT2ANPC1
SCHEMBL7672276 0.77 CYP2E1 (0.70) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL17085004 0.77 HPGD (0.61) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP2D6
SCHEMBL11821902 0.77 HRH4 (0.57) ALDH1A1HPGDSMN1; SMN2KMT2ANPC1
SCHEMBL266609 0.76 ALDH1A1 (0.66) ALDH1A1HPGDSMN1; SMN2POLBKMT2A

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-7455961-B2 Copolymer and photothermographic material containing the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-11-25 US disclosed
US-20080085482-A1 COPOLYMER AND PHOTOTHERMOGRAPHIC MATERIAL CONTAINING THE SAME KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-04-10 US disclosed
EP-1909139-A1 Copolymer and photothermographic material containing the same Konica Minolta Medical & Graphic, Inc. (JP) 2008-04-09 EP disclosed